2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile

C124H111F6N33O2S2 — CID 161480491

IUPAC2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile
SMILESCc1ccsc1-c1cc(Nc2nc(Nc3ccc(CC#N)cc3)nc3ccccc23)n[nH]1.N#CCc1ccc(Nc2nc(Nc3cc(C4CCCCC4)[nH]n3)c3ccccc3n2)cc1.O=C(Cc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1)Cc1cccc(C(F)(F)F)c1.O=C(Cc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1)c1cccc(C(F)(F)F)c1.c1ccc2c(Nc3cc(C4CCCCC4)[nH]n3)nc(Nc3ccc4ncsc4c3)nc2c1
InChIInChI=1S/C26H23F3N6O.C25H21F3N6O.C25H25N7.C24H23N7S.C24H19N7S/c27-26(28,29)19-3-1-2-17(12-19)14-21(36)13-16-4-8-20(9-5-16)31-25-30-11-10-23(33-25)32-24-15-22(34-35-24)18-6-7-18;26-25(27,28)18-3-1-2-17(13-18)21(35)12-15-4-8-19(9-5-15)30-24-29-11-10-22(32-24)31-23-14-20(33-34-23)16-6-7-16;26-15-14-17-10-12-19(13-11-17)27-25-28-21-9-5-4-8-20(21)24(30-25)29-23-16-22(31-32-23)18-6-2-1-3-7-18;1-2-6-15(7-3-1)20-13-22(31-30-20)28-23-17-8-4-5-9-18(17)27-24(29-23)26-16-10-11-19-21(12-16)32-14-25-19;1-15-11-13-32-22(15)20-14-21(31-30-20)28-23-18-4-2-3-5-19(18)27-24(29-23)26-17-8-6-16(7-9-17)10-12-25/h1-5,8-12,15,18H,6-7,13-14H2,(H3,30,31,32,33,34,35);1-5,8-11,13-14,16H,6-7,12H2,(H3,29,30,31,32,33,34);4-5,8-13,16,18H,1-3,6-7,14H2,(H3,27,28,29,30,31,32);4-5,8-15H,1-3,6-7H2,(H3,26,27,28,29,30,31);2-9,11,13-14H,10H2,1H3,(H3,26,27,28,29,30,31)
InChIKeyWEHHHMBPGBOGHO-UHFFFAOYSA-N
MW2273.60 g/mol
LogP30.34
Rot. Bonds34

About 2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile

2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile (PubChem CID 161480491) has the molecular formula C124H111F6N33O2S2 and a molecular weight of 2273.60 g/mol. Its IUPAC name is 2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile
PubChem CID161480491
Molecular FormulaC124H111F6N33O2S2
Molecular Weight2273.60 g/mol
Exact Mass2271.89
IUPAC Name2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile
SMILESCc1ccsc1-c1cc(Nc2nc(Nc3ccc(CC#N)cc3)nc3ccccc23)n[nH]1.N#CCc1ccc(Nc2nc(Nc3cc(C4CCCCC4)[nH]n3)c3ccccc3n2)cc1.O=C(Cc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1)Cc1cccc(C(F)(F)F)c1.O=C(Cc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1)c1cccc(C(F)(F)F)c1.c1ccc2c(Nc3cc(C4CCCCC4)[nH]n3)nc(Nc3ccc4ncsc4c3)nc2c1
InChIInChI=1S/C26H23F3N6O.C25H21F3N6O.C25H25N7.C24H23N7S.C24H19N7S/c27-26(28,29)19-3-1-2-17(12-19)14-21(36)13-16-4-8-20(9-5-16)31-25-30-11-10-23(33-25)32-24-15-22(34-35-24)18-6-7-18;26-25(27,28)18-3-1-2-17(13-18)21(35)12-15-4-8-19(9-5-15)30-24-29-11-10-22(32-24)31-23-14-20(33-34-23)16-6-7-16;26-15-14-17-10-12-19(13-11-17)27-25-28-21-9-5-4-8-20(21)24(30-25)29-23-16-22(31-32-23)18-6-2-1-3-7-18;1-2-6-15(7-3-1)20-13-22(31-30-20)28-23-17-8-4-5-9-18(17)27-24(29-23)26-16-10-11-19-21(12-16)32-14-25-19;1-15-11-13-32-22(15)20-14-21(31-30-20)28-23-18-4-2-3-5-19(18)27-24(29-23)26-17-8-6-16(7-9-17)10-12-25/h1-5,8-12,15,18H,6-7,13-14H2,(H3,30,31,32,33,34,35);1-5,8-11,13-14,16H,6-7,12H2,(H3,29,30,31,32,33,34);4-5,8-13,16,18H,1-3,6-7,14H2,(H3,27,28,29,30,31,32);4-5,8-15H,1-3,6-7H2,(H3,26,27,28,29,30,31);2-9,11,13-14H,10H2,1H3,(H3,26,27,28,29,30,31)
InChIKeyWEHHHMBPGBOGHO-UHFFFAOYSA-N
XLogP30.34
TPSA487.21 Ų
H-Bond Donors15
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002273.60
LogP ≤ 530.34
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1032

Analyze 2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile?
The IUPAC name of 2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile (CID 161480491) is 2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile.
What is the SMILES notation for 2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile?
The canonical SMILES for 2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile is Cc1ccsc1-c1cc(Nc2nc(Nc3ccc(CC#N)cc3)nc3ccccc23)n[nH]1.N#CCc1ccc(Nc2nc(Nc3cc(C4CCCCC4)[nH]n3)c3ccccc3n2)cc1.O=C(Cc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1)Cc1cccc(C(F)(F)F)c1.O=C(Cc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1)c1cccc(C(F)(F)F)c1.c1ccc2c(Nc3cc(C4CCCCC4)[nH]n3)nc(Nc3ccc4ncsc4c3)nc2c1.
What is the InChIKey of 2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile?
The InChIKey is WEHHHMBPGBOGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N6O.C25H21F3N6O.C25H25N7.C24H23N7S.C24H19N7S/c27-26(28,29)19-3-1-2-17(12-19)14-21(36)13-16-4-8-20(9-5-16)31-25-30-11-10-23(33-25)32-24-15-22(34-35-24)18-6-7-18;26-25(27,28)18-3-1-2-17(13-18)21(35)12-15-4-8-19(9-5-15)30-24-29-11-10-22(32-24)31-23-14-20(33-34-23)16-6-7-16;26-15-14-17-10-12-19(13-11-17)27-25-28-21-9-5-4-8-20(21)24(30-25)29-23-16-22(31-32-23)18-6-2-1-3-7-18;1-2-6-15(7-3-1)20-13-22(31-30-20)28-23-17-8-4-5-9-18(17)27-24(29-23)26-16-10-11-19-21(12-16)32-14-25-19;1-15-11-13-32-22(15)20-14-21(31-30-20)28-23-18-4-2-3-5-19(18)27-24(29-23)26-17-8-6-16(7-9-17)10-12-25/h1-5,8-12,15,18H,6-7,13-14H2,(H3,30,31,32,33,34,35);1-5,8-11,13-14,16H,6-7,12H2,(H3,29,30,31,32,33,34);4-5,8-13,16,18H,1-3,6-7,14H2,(H3,27,28,29,30,31,32);4-5,8-15H,1-3,6-7H2,(H3,26,27,28,29,30,31);2-9,11,13-14H,10H2,1H3,(H3,26,27,28,29,30,31).
What are the key properties of 2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile?
2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile has a molecular weight of 2273.60 g/mol, XLogP of 30.34, 34 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzothiazol-6-yl)-4-N-(5-cyclohexyl-1H-pyrazol-3-yl)quinazoline-2,4-diamine;2-[4-[[4-[(5-cyclohexyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]amino]phenyl]acetonitrile;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;2-[4-[[4-[[5-(3-methylthiophen-2-yl)-1H-pyrazol-3-yl]amino]quinazolin-2-yl]amino]phenyl]acetonitrile is sourced from PubChem (CID 161480491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).