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

C40H29F4N15S3 — CID 159351914

IUPAC5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1sc(Nc2ccccn2)nc1-c1cn[nH]c1.Fc1sc(Nc2ccccn2)nc1-c1cn[nH]c1.c1ccc(-c2sc(Nc3ccccn3)nc2-c2cn[nH]c2)cc1
InChIInChI=1S/C17H13N5S.C12H8F3N5S.C11H8FN5S/c1-2-6-12(7-3-1)16-15(13-10-19-20-11-13)22-17(23-16)21-14-8-4-5-9-18-14;13-12(14,15)10-9(7-5-17-18-6-7)20-11(21-10)19-8-3-1-2-4-16-8;12-10-9(7-5-14-15-6-7)17-11(18-10)16-8-3-1-2-4-13-8/h1-11H,(H,19,20)(H,18,21,22);1-6H,(H,17,18)(H,16,19,20);1-6H,(H,14,15)(H,13,16,17)
InChIKeyLHKVELANHSGPKI-UHFFFAOYSA-N
MW891.97 g/mol
LogP10.84
Rot. Bonds10

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

5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 159351914) has the molecular formula C40H29F4N15S3 and a molecular weight of 891.97 g/mol. Its IUPAC name is 5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID159351914
Molecular FormulaC40H29F4N15S3
Molecular Weight891.97 g/mol
Exact Mass891.18
IUPAC Name5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(F)(F)c1sc(Nc2ccccn2)nc1-c1cn[nH]c1.Fc1sc(Nc2ccccn2)nc1-c1cn[nH]c1.c1ccc(-c2sc(Nc3ccccn3)nc2-c2cn[nH]c2)cc1
InChIInChI=1S/C17H13N5S.C12H8F3N5S.C11H8FN5S/c1-2-6-12(7-3-1)16-15(13-10-19-20-11-13)22-17(23-16)21-14-8-4-5-9-18-14;13-12(14,15)10-9(7-5-17-18-6-7)20-11(21-10)19-8-3-1-2-4-16-8;12-10-9(7-5-14-15-6-7)17-11(18-10)16-8-3-1-2-4-13-8/h1-11H,(H,19,20)(H,18,21,22);1-6H,(H,17,18)(H,16,19,20);1-6H,(H,14,15)(H,13,16,17)
InChIKeyLHKVELANHSGPKI-UHFFFAOYSA-N
XLogP10.84
TPSA199.47 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500891.97
LogP ≤ 510.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(4-piperazin-1-yl-2-pyridinyl)-5-[5-(1H-pyrazol-4-yl)-3-pyridinyl]-1,3-thiazol-2-amine
CID 15979518
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine
CID 155566118
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 87097987
N-[6-(difluoromethyl)pyridin-2-yl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;N-[6-(fluoromethyl)pyridin-2-yl]-5-methyl-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine
CID 87098028
5-(1H-pyrazol-4-yl)-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyridin-2-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87944498
5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]pyridin-2-yl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 87945676
4-[5-(difluoromethyl)-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine;4-[5-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-1H-pyrazol-4-yl]-N-(4-methylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 88922262
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
5-methyl-N-(4-propan-2-ylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyrimidin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 89734421
N-[(2,4-difluorophenyl)methyl]-5-[2-(1-methylpyrazol-4-yl)-5-propan-2-yl-1,3-thiazol-4-yl]pyridin-2-amine
CID 91257708
N-[4-[4-(3,3-difluorobutyl)piperazin-1-yl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 134422703
5-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-methyl-2-[3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl]-1,3-thiazole
CID 156321232

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine (CID 159351914) is 5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine is FC(F)(F)c1sc(Nc2ccccn2)nc1-c1cn[nH]c1.Fc1sc(Nc2ccccn2)nc1-c1cn[nH]c1.c1ccc(-c2sc(Nc3ccccn3)nc2-c2cn[nH]c2)cc1.
What is the InChIKey of 5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is LHKVELANHSGPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S.C12H8F3N5S.C11H8FN5S/c1-2-6-12(7-3-1)16-15(13-10-19-20-11-13)22-17(23-16)21-14-8-4-5-9-18-14;13-12(14,15)10-9(7-5-17-18-6-7)20-11(21-10)19-8-3-1-2-4-16-8;12-10-9(7-5-14-15-6-7)17-11(18-10)16-8-3-1-2-4-13-8/h1-11H,(H,19,20)(H,18,21,22);1-6H,(H,17,18)(H,16,19,20);1-6H,(H,14,15)(H,13,16,17).
What are the key properties of 5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine?
5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 891.97 g/mol, XLogP of 10.84, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;5-phenyl-4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 159351914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).