N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine

C107H117F2N31OS5 — CID 157251691

IUPACN-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
SMILESCCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(F)c2)cs1.CCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)cc2)cs1.COc1cc(-c2csc(Nc3c4c(nn3C)CCCC4)n2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4C)CCCC5)n3)cc2F)cn1.Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4C)CCCC5)n3)cn2)cn1
InChIInChI=1S/C22H25FN6S.C22H24N6OS.C22H26N6S.C21H21FN6S.C20H21N7S/c1-6-29-20(10-19(27-29)22(3,4)5)26-21-25-17(12-30-21)15-7-8-18(16(23)9-15)28-11-14(2)24-13-28;1-14-11-28(13-23-14)19-9-8-15(10-20(19)29-3)18-12-30-22(24-18)25-21-16-6-4-5-7-17(16)26-27(21)2;1-6-28-20(11-19(26-28)22(3,4)5)25-21-24-18(13-29-21)16-7-9-17(10-8-16)27-12-15(2)23-14-27;1-13-10-28(12-23-13)19-8-7-14(9-16(19)22)18-11-29-21(24-18)25-20-15-5-3-4-6-17(15)26-27(20)2;1-13-10-27(12-22-13)18-8-7-14(9-21-18)17-11-28-20(23-17)24-19-15-5-3-4-6-16(15)25-26(19)2/h7-13H,6H2,1-5H3,(H,25,26);8-13H,4-7H2,1-3H3,(H,24,25);7-14H,6H2,1-5H3,(H,24,25);7-12H,3-6H2,1-2H3,(H,24,25);7-12H,3-6H2,1-2H3,(H,23,24)
InChIKeyAWKMPHMCVGSRDU-UHFFFAOYSA-N
MW2051.66 g/mol
LogP24.79
Rot. Bonds23

About N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine

N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine (PubChem CID 157251691) has the molecular formula C107H117F2N31OS5 and a molecular weight of 2051.66 g/mol. Its IUPAC name is N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
PubChem CID157251691
Molecular FormulaC107H117F2N31OS5
Molecular Weight2051.66 g/mol
Exact Mass2049.86
IUPAC NameN-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine
SMILESCCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(F)c2)cs1.CCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)cc2)cs1.COc1cc(-c2csc(Nc3c4c(nn3C)CCCC4)n2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4C)CCCC5)n3)cc2F)cn1.Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4C)CCCC5)n3)cn2)cn1
InChIInChI=1S/C22H25FN6S.C22H24N6OS.C22H26N6S.C21H21FN6S.C20H21N7S/c1-6-29-20(10-19(27-29)22(3,4)5)26-21-25-17(12-30-21)15-7-8-18(16(23)9-15)28-11-14(2)24-13-28;1-14-11-28(13-23-14)19-9-8-15(10-20(19)29-3)18-12-30-22(24-18)25-21-16-6-4-5-7-17(16)26-27(21)2;1-6-28-20(11-19(26-28)22(3,4)5)25-21-24-18(13-29-21)16-7-9-17(10-8-16)27-12-15(2)23-14-27;1-13-10-28(12-23-13)19-8-7-14(9-16(19)22)18-11-29-21(24-18)25-20-15-5-3-4-6-17(15)26-27(20)2;1-13-10-27(12-22-13)18-8-7-14(9-21-18)17-11-28-20(23-17)24-19-15-5-3-4-6-16(15)25-26(19)2/h7-13H,6H2,1-5H3,(H,25,26);8-13H,4-7H2,1-3H3,(H,24,25);7-14H,6H2,1-5H3,(H,24,25);7-12H,3-6H2,1-2H3,(H,24,25);7-12H,3-6H2,1-2H3,(H,23,24)
InChIKeyAWKMPHMCVGSRDU-UHFFFAOYSA-N
XLogP24.79
TPSA324.92 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds23
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002051.66
LogP ≤ 524.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine (CID 157251691) is N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine is CCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)c(F)c2)cs1.CCn1nc(C(C)(C)C)cc1Nc1nc(-c2ccc(-n3cnc(C)c3)cc2)cs1.COc1cc(-c2csc(Nc3c4c(nn3C)CCCC4)n2)ccc1-n1cnc(C)c1.Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4C)CCCC5)n3)cc2F)cn1.Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4C)CCCC5)n3)cn2)cn1.
What is the InChIKey of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is AWKMPHMCVGSRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6S.C22H24N6OS.C22H26N6S.C21H21FN6S.C20H21N7S/c1-6-29-20(10-19(27-29)22(3,4)5)26-21-25-17(12-30-21)15-7-8-18(16(23)9-15)28-11-14(2)24-13-28;1-14-11-28(13-23-14)19-9-8-15(10-20(19)29-3)18-12-30-22(24-18)25-21-16-6-4-5-7-17(16)26-27(21)2;1-6-28-20(11-19(26-28)22(3,4)5)25-21-24-18(13-29-21)16-7-9-17(10-8-16)27-12-15(2)23-14-27;1-13-10-28(12-23-13)19-8-7-14(9-16(19)22)18-11-29-21(24-18)25-20-15-5-3-4-6-17(15)26-27(20)2;1-13-10-27(12-22-13)18-8-7-14(9-21-18)17-11-28-20(23-17)24-19-15-5-3-4-6-16(15)25-26(19)2/h7-13H,6H2,1-5H3,(H,25,26);8-13H,4-7H2,1-3H3,(H,24,25);7-14H,6H2,1-5H3,(H,24,25);7-12H,3-6H2,1-2H3,(H,24,25);7-12H,3-6H2,1-2H3,(H,23,24).
What are the key properties of N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine?
N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 2051.66 g/mol, XLogP of 24.79, 23 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;N-(3-tert-butyl-1-ethylpyrazol-5-yl)-4-[4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine;4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine;4-[6-(4-methylimidazol-1-yl)-3-pyridinyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 157251691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).