N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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

C41H32F3N15S3 — CID 159349304

IUPACN-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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
SMILESCc1cccc(Nc2nc(-c3cn[nH]c3)cs2)n1.FC(F)(F)c1sc(Nc2ccccn2)nc1-c1cn[nH]c1.c1ccc(-c2sc(Nc3ccccn3)nc2-c2cn[nH]c2)cc1
InChIInChI=1S/C17H13N5S.C12H8F3N5S.C12H11N5S/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;1-8-3-2-4-11(15-8)17-12-16-10(7-18-12)9-5-13-14-6-9/h1-11H,(H,19,20)(H,18,21,22);1-6H,(H,17,18)(H,16,19,20);2-7H,1H3,(H,13,14)(H,15,16,17)
InChIKeyLHCWXWOCYXRMNV-UHFFFAOYSA-N
MW888.01 g/mol
LogP11.01
Rot. Bonds10

About N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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

N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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 159349304) has the molecular formula C41H32F3N15S3 and a molecular weight of 888.01 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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 NameN-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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 CID159349304
Molecular FormulaC41H32F3N15S3
Molecular Weight888.01 g/mol
Exact Mass887.21
IUPAC NameN-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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
SMILESCc1cccc(Nc2nc(-c3cn[nH]c3)cs2)n1.FC(F)(F)c1sc(Nc2ccccn2)nc1-c1cn[nH]c1.c1ccc(-c2sc(Nc3ccccn3)nc2-c2cn[nH]c2)cc1
InChIInChI=1S/C17H13N5S.C12H8F3N5S.C12H11N5S/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;1-8-3-2-4-11(15-8)17-12-16-10(7-18-12)9-5-13-14-6-9/h1-11H,(H,19,20)(H,18,21,22);1-6H,(H,17,18)(H,16,19,20);2-7H,1H3,(H,13,14)(H,15,16,17)
InChIKeyLHCWXWOCYXRMNV-UHFFFAOYSA-N
XLogP11.01
TPSA199.47 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500888.01
LogP ≤ 511.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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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Related Compounds

N-[4-[3-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl]-2-thiazolyl]-2-pyridinamine
CID 46836868
1-ethyl-3-[5-[5-(1H-pyrazol-5-yl)-3-pyridinyl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2-pyridinyl]urea
CID 68639693
1-ethyl-3-[5-[5-(5-methyl-1H-pyrazol-4-yl)pyridin-3-yl]-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-2-yl]urea
CID 68660713
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
2-[4-[2-[[3-[7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]pyrazol-1-yl]methyl]-4-ethyl-5-(1-methylpyrazol-3-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-10-ium-7-yl]-1-methylpyrazol-3-yl]-1,3-thiazole
CID 123481644
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

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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 N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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 159349304) is N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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 N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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 N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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 Cc1cccc(Nc2nc(-c3cn[nH]c3)cs2)n1.FC(F)(F)c1sc(Nc2ccccn2)nc1-c1cn[nH]c1.c1ccc(-c2sc(Nc3ccccn3)nc2-c2cn[nH]c2)cc1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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 LHCWXWOCYXRMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5S.C12H8F3N5S.C12H11N5S/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;1-8-3-2-4-11(15-8)17-12-16-10(7-18-12)9-5-13-14-6-9/h1-11H,(H,19,20)(H,18,21,22);1-6H,(H,17,18)(H,16,19,20);2-7H,1H3,(H,13,14)(H,15,16,17).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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?
N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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 888.01 g/mol, XLogP of 11.01, 10 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-(1H-pyrazol-4-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 159349304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).