1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

C117H120N28O16S10 — CID 160918681

About 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol

1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (PubChem CID 160918681) has the molecular formula C117H120N28O16S10 and a molecular weight of 2495.10 g/mol. Its IUPAC name is 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

Molecular Properties

• Compound Name: 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
• PubChem CID: 160918681
• Molecular Formula: C117H120N28O16S10
• Molecular Weight: 2495.10 g/mol
• Exact Mass: 2492.66
• IUPAC Name: 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol
• SMILES: CC(Sc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1)c1ccccn1.Cc1ncccc1Sc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1.OCC(O)c1csc(Nc2ncc(SCc3ccccn3)cc2OC2CCCc3ncncc32)n1.OCC(O)c1csc(Nc2ncc(Sc3ccccc3)cc2OC2CCCc3ncncc32)n1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1
• InChI: InChI=1S/C25H26N6O3S2.2C24H24N6O3S2.C24H23N5O3S2.C20H23N5O4S2/c1-15(18-5-2-3-8-27-18)36-16-9-23(34-22-7-4-6-19-17(22)11-26-14-29-19)24(28-10-16)31-25-30-20(13-35-25)21(33)12-32;1-14-22(6-3-7-26-14)35-15-8-21(33-20-5-2-4-17-16(20)10-25-13-28-17)23(27-9-15)30-24-29-18(12-34-24)19(32)11-31;31-11-20(32)19-13-35-24(29-19)30-23-22(33-21-6-3-5-18-17(21)10-25-14-28-18)8-16(9-27-23)34-12-15-4-1-2-7-26-15;30-12-20(31)19-13-33-24(28-19)29-23-22(9-16(10-26-23)34-15-5-2-1-3-6-15)32-21-8-4-7-18-17(21)11-25-14-27-18;26-4-5-30-12-6-18(29-17-3-1-2-14-13(17)8-21-11-23-14)19(22-7-12)25-20-24-15(10-31-20)16(28)9-27/h2-3,5,8-11,13-15,21-22,32-33H,4,6-7,12H2,1H3,(H,28,30,31);3,6-10,12-13,19-20,31-32H,2,4-5,11H2,1H3,(H,27,29,30);1-2,4,7-10,13-14,20-21,31-32H,3,5-6,11-12H2,(H,27,29,30);1-3,5-6,9-11,13-14,20-21,30-31H,4,7-8,12H2,(H,26,28,29);6-8,10-11,16-17,26-28H,1-5,9H2,(H,22,24,25)
• InChIKey: SRSXWOJPXQQDQX-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 625.30 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 54
• Rotatable Bonds: 43
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2495.10
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

The IUPAC name of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol (CID 160918681) is 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol.

What is the SMILES notation for 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

The canonical SMILES for 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is CC(Sc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1)c1ccccn1.Cc1ncccc1Sc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1.OCC(O)c1csc(Nc2ncc(SCc3ccccn3)cc2OC2CCCc3ncncc32)n1.OCC(O)c1csc(Nc2ncc(Sc3ccccc3)cc2OC2CCCc3ncncc32)n1.OCCSc1cnc(Nc2nc(C(O)CO)cs2)c(OC2CCCc3ncncc32)c1.

What is the InChIKey of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

The InChIKey is SRSXWOJPXQQDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S2.2C24H24N6O3S2.C24H23N5O3S2.C20H23N5O4S2/c1-15(18-5-2-3-8-27-18)36-16-9-23(34-22-7-4-6-19-17(22)11-26-14-29-19)24(28-10-16)31-25-30-20(13-35-25)21(33)12-32;1-14-22(6-3-7-26-14)35-15-8-21(33-20-5-2-4-17-16(20)10-25-13-28-17)23(27-9-15)30-24-29-18(12-34-24)19(32)11-31;31-11-20(32)19-13-35-24(29-19)30-23-22(33-21-6-3-5-18-17(21)10-25-14-28-18)8-16(9-27-23)34-12-15-4-1-2-7-26-15;30-12-20(31)19-13-33-24(28-19)29-23-22(9-16(10-26-23)34-15-5-2-1-3-6-15)32-21-8-4-7-18-17(21)11-25-14-27-18;26-4-5-30-12-6-18(29-17-3-1-2-14-13(17)8-21-11-23-14)19(22-7-12)25-20-24-15(10-31-20)16(28)9-27/h2-3,5,8-11,13-15,21-22,32-33H,4,6-7,12H2,1H3,(H,28,30,31);3,6-10,12-13,19-20,31-32H,2,4-5,11H2,1H3,(H,27,29,30);1-2,4,7-10,13-14,20-21,31-32H,3,5-6,11-12H2,(H,27,29,30);1-3,5-6,9-11,13-14,20-21,30-31H,4,7-8,12H2,(H,26,28,29);6-8,10-11,16-17,26-28H,1-5,9H2,(H,22,24,25).

What are the key properties of 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol?

1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol has a molecular weight of 2495.10 g/mol, XLogP of 20.79, 43 rotatable bonds, 16 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[[5-(2-hydroxyethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-[(2-methyl-3-pyridinyl)sulfanyl]-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-phenylsulfanyl-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(1-pyridin-2-ylethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol;1-[2-[[5-(pyridin-2-ylmethylsulfanyl)-3-(5,6,7,8-tetrahydroquinazolin-5-yloxy)-2-pyridinyl]amino]-1,3-thiazol-4-yl]ethane-1,2-diol is sourced from PubChem (CID 160918681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).