4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

C35H32FN17S3 — CID 87097896

IUPAC4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1.Cc1cnc(Nc2nc(-c3cn[nH]c3)c(C)s2)nc1.Fc1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/2C12H12N6S.C11H8FN5S/c1-7-3-13-11(14-4-7)18-12-17-10(8(2)19-12)9-5-15-16-6-9;1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9;12-10-7(5-14-17-10)8-6-18-11(15-8)16-9-3-1-2-4-13-9/h3-6H,1-2H3,(H,15,16)(H,13,14,17,18);3-6H,1-2H3,(H,14,15)(H,13,16,17,18);1-6H,(H,14,17)(H,13,15,16)
InChIKeyLGZLFOXPQAZYJS-UHFFFAOYSA-N
MW805.96 g/mol
LogP8.18
Rot. Bonds9

About 4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine

4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (PubChem CID 87097896) has the molecular formula C35H32FN17S3 and a molecular weight of 805.96 g/mol. Its IUPAC name is 4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
PubChem CID87097896
Molecular FormulaC35H32FN17S3
Molecular Weight805.96 g/mol
Exact Mass805.22
IUPAC Name4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1.Cc1cnc(Nc2nc(-c3cn[nH]c3)c(C)s2)nc1.Fc1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/2C12H12N6S.C11H8FN5S/c1-7-3-13-11(14-4-7)18-12-17-10(8(2)19-12)9-5-15-16-6-9;1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9;12-10-7(5-14-17-10)8-6-18-11(15-8)16-9-3-1-2-4-13-9/h3-6H,1-2H3,(H,15,16)(H,13,14,17,18);3-6H,1-2H3,(H,14,15)(H,13,16,17,18);1-6H,(H,14,17)(H,13,15,16)
InChIKeyLGZLFOXPQAZYJS-UHFFFAOYSA-N
XLogP8.18
TPSA225.25 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms56
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500805.96
LogP ≤ 58.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine (CID 87097896) is 4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is Cc1ccnc(Nc2nc(-c3cn[nH]c3)c(C)s2)n1.Cc1cnc(Nc2nc(-c3cn[nH]c3)c(C)s2)nc1.Fc1[nH]ncc1-c1csc(Nc2ccccn2)n1.
What is the InChIKey of 4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
The InChIKey is LGZLFOXPQAZYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H12N6S.C11H8FN5S/c1-7-3-13-11(14-4-7)18-12-17-10(8(2)19-12)9-5-15-16-6-9;1-7-3-4-13-11(16-7)18-12-17-10(8(2)19-12)9-5-14-15-6-9;12-10-7(5-14-17-10)8-6-18-11(15-8)16-9-3-1-2-4-13-9/h3-6H,1-2H3,(H,15,16)(H,13,14,17,18);3-6H,1-2H3,(H,14,15)(H,13,16,17,18);1-6H,(H,14,17)(H,13,15,16).
What are the key properties of 4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine?
4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine has a molecular weight of 805.96 g/mol, XLogP of 8.18, 9 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;5-methyl-N-(5-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87097896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).