5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine

C35H27F5N16S3 — CID 88922364

IUPAC5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cn[nH]c3)cs2)n1.FC(F)(F)Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1.Fc1ccc(Nc2nc(-c3cn[nH]c3)c(F)s2)nc1
InChIInChI=1S/C13H10F3N5S.C11H7F2N5S.C11H10N6S/c14-13(15,16)5-9-8(6-18-21-9)10-7-22-12(19-10)20-11-3-1-2-4-17-11;12-7-1-2-8(14-5-7)17-11-18-9(10(13)19-11)6-3-15-16-4-6;1-7-2-3-12-10(15-7)17-11-16-9(6-18-11)8-4-13-14-5-8/h1-4,6-7H,5H2,(H,18,21)(H,17,19,20);1-5H,(H,15,16)(H,14,17,18);2-6H,1H3,(H,13,14)(H,12,15,16,17)
InChIKeyAOUICBUUSWEDPE-UHFFFAOYSA-N
MW862.90 g/mol
LogP9.10
Rot. Bonds10

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

5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 88922364) has the molecular formula C35H27F5N16S3 and a molecular weight of 862.90 g/mol. Its IUPAC name is 5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
PubChem CID88922364
Molecular FormulaC35H27F5N16S3
Molecular Weight862.90 g/mol
Exact Mass862.17
IUPAC Name5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1ccnc(Nc2nc(-c3cn[nH]c3)cs2)n1.FC(F)(F)Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1.Fc1ccc(Nc2nc(-c3cn[nH]c3)c(F)s2)nc1
InChIInChI=1S/C13H10F3N5S.C11H7F2N5S.C11H10N6S/c14-13(15,16)5-9-8(6-18-21-9)10-7-22-12(19-10)20-11-3-1-2-4-17-11;12-7-1-2-8(14-5-7)17-11-18-9(10(13)19-11)6-3-15-16-4-6;1-7-2-3-12-10(15-7)17-11-16-9(6-18-11)8-4-13-14-5-8/h1-4,6-7H,5H2,(H,18,21)(H,17,19,20);1-5H,(H,15,16)(H,14,17,18);2-6H,1H3,(H,13,14)(H,12,15,16,17)
InChIKeyAOUICBUUSWEDPE-UHFFFAOYSA-N
XLogP9.10
TPSA212.36 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500862.90
LogP ≤ 59.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine (CID 88922364) is 5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine is Cc1ccnc(Nc2nc(-c3cn[nH]c3)cs2)n1.FC(F)(F)Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1.Fc1ccc(Nc2nc(-c3cn[nH]c3)c(F)s2)nc1.
What is the InChIKey of 5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is AOUICBUUSWEDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5S.C11H7F2N5S.C11H10N6S/c14-13(15,16)5-9-8(6-18-21-9)10-7-22-12(19-10)20-11-3-1-2-4-17-11;12-7-1-2-8(14-5-7)17-11-18-9(10(13)19-11)6-3-15-16-4-6;1-7-2-3-12-10(15-7)17-11-16-9(6-18-11)8-4-13-14-5-8/h1-4,6-7H,5H2,(H,18,21)(H,17,19,20);1-5H,(H,15,16)(H,14,17,18);2-6H,1H3,(H,13,14)(H,12,15,16,17).
What are the key properties of 5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 862.90 g/mol, XLogP of 9.10, 10 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(5-fluoro-2-pyridinyl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 88922364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).