N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

C38H35F2N15S3 — CID 87098048

About N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 87098048) has the molecular formula C38H35F2N15S3 and a molecular weight of 836.00 g/mol. Its IUPAC name is N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
• PubChem CID: 87098048
• Molecular Formula: C38H35F2N15S3
• Molecular Weight: 836.00 g/mol
• Exact Mass: 835.23
• IUPAC Name: N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
• SMILES: Cc1cccc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1.Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)c1.Cc1sc(Nc2ncc(F)cc2F)nc1-c1cn[nH]c1
• InChI: InChI=1S/2C13H13N5S.C12H9F2N5S/c1-8-3-4-14-11(5-8)17-13-18-12(9(2)19-13)10-6-15-16-7-10;1-8-4-3-5-11(16-8)17-13-18-12(9(2)19-13)10-6-14-15-7-10;1-6-10(7-3-16-17-4-7)18-12(20-6)19-11-9(14)2-8(13)5-15-11/h3-7H,1-2H3,(H,15,16)(H,14,17,18);3-7H,1-2H3,(H,14,15)(H,16,17,18);2-5H,1H3,(H,16,17)(H,15,18,19)
• InChIKey: IIWFZUVSJUUDQP-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 199.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	836.00
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?

The IUPAC name of N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 87098048) is N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

What is the SMILES notation for N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?

The canonical SMILES for N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1.Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)c1.Cc1sc(Nc2ncc(F)cc2F)nc1-c1cn[nH]c1.

What is the InChIKey of N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?

The InChIKey is IIWFZUVSJUUDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H13N5S.C12H9F2N5S/c1-8-3-4-14-11(5-8)17-13-18-12(9(2)19-13)10-6-15-16-7-10;1-8-4-3-5-11(16-8)17-13-18-12(9(2)19-13)10-6-14-15-7-10;1-6-10(7-3-16-17-4-7)18-12(20-6)19-11-9(14)2-8(13)5-15-11/h3-7H,1-2H3,(H,15,16)(H,14,17,18);3-7H,1-2H3,(H,14,15)(H,16,17,18);2-5H,1H3,(H,16,17)(H,15,18,19).

What are the key properties of N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?

N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 836.00 g/mol, XLogP of 9.84, 9 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-difluoro-2-pyridinyl)-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(4-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87098048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).