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

C37H31F3N14S3 — CID 157108456

IUPAC4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1[nH]ncc1-c1csc(Nc2ccccc2)n1.Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1.FC(F)(F)c1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C13H12N4S.C12H8F3N5S.C12H11N5S/c1-9-11(7-14-17-9)12-8-18-13(16-12)15-10-5-3-2-4-6-10;13-12(14,15)10-7(5-17-20-10)8-6-21-11(18-8)19-9-3-1-2-4-16-9;1-8-9(6-14-17-8)10-7-18-12(15-10)16-11-4-2-3-5-13-11/h2-8H,1H3,(H,14,17)(H,15,16);1-6H,(H,17,20)(H,16,18,19);2-7H,1H3,(H,14,17)(H,13,15,16)
InChIKeyAGOMVSZPEDCZQV-UHFFFAOYSA-N
MW824.95 g/mol
LogP10.26
Rot. Bonds9

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

4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 157108456) has the molecular formula C37H31F3N14S3 and a molecular weight of 824.95 g/mol. Its IUPAC name is 4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
PubChem CID157108456
Molecular FormulaC37H31F3N14S3
Molecular Weight824.95 g/mol
Exact Mass824.20
IUPAC Name4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1[nH]ncc1-c1csc(Nc2ccccc2)n1.Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1.FC(F)(F)c1[nH]ncc1-c1csc(Nc2ccccn2)n1
InChIInChI=1S/C13H12N4S.C12H8F3N5S.C12H11N5S/c1-9-11(7-14-17-9)12-8-18-13(16-12)15-10-5-3-2-4-6-10;13-12(14,15)10-7(5-17-20-10)8-6-21-11(18-8)19-9-3-1-2-4-16-9;1-8-9(6-14-17-8)10-7-18-12(15-10)16-11-4-2-3-5-13-11/h2-8H,1H3,(H,14,17)(H,15,16);1-6H,(H,17,20)(H,16,18,19);2-7H,1H3,(H,14,17)(H,13,15,16)
InChIKeyAGOMVSZPEDCZQV-UHFFFAOYSA-N
XLogP10.26
TPSA186.58 Ų
H-Bond Donors6
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500824.95
LogP ≤ 510.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1014

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

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Launch Full Analysis

Related Compounds

4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42644808
N-(5-methyl-2-pyridinyl)-4-[1-(1H-pyrazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 91800755
5-methyl-4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 42645256
N-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-5-phenyl-1,3-thiazol-2-amine
CID 155528265
5-[1-(4-fluorophenyl)pyrazol-3-yl]-4-methyl-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 126466588
4-[1-propyl-3-(trifluoromethyl)pyrazol-4-yl]-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 25205066
N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine
CID 42645042
4-(1H-pyrazol-4-yl)-N-pyridin-2-yl-5-(trifluoromethyl)-1,3-thiazol-2-amine
CID 42646215
N-[4-[3-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl]-2-thiazolyl]-2-pyridinamine
CID 46836868
N-[4-(3-Fluoro-1H-pyrazol-4-yl)-2-thiazolyl]-2-pyridinamine
CID 46836874
6-(Difluoromethyl)-N-[5-methyl-4-(1H-pyrazol-4-yl)-2-thiazolyl]-2-pyridinamine
CID 46836937
N-(pyridin-2-yl)-2-(3-(trifluoromethyl)-1H-pyrazol-4-yl)thiazol-4-amine
CID 53327919

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine (CID 157108456) is 4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine is Cc1[nH]ncc1-c1csc(Nc2ccccc2)n1.Cc1[nH]ncc1-c1csc(Nc2ccccn2)n1.FC(F)(F)c1[nH]ncc1-c1csc(Nc2ccccn2)n1.
What is the InChIKey of 4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is AGOMVSZPEDCZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S.C12H8F3N5S.C12H11N5S/c1-9-11(7-14-17-9)12-8-18-13(16-12)15-10-5-3-2-4-6-10;13-12(14,15)10-7(5-17-20-10)8-6-21-11(18-8)19-9-3-1-2-4-16-9;1-8-9(6-14-17-8)10-7-18-12(15-10)16-11-4-2-3-5-13-11/h2-8H,1H3,(H,14,17)(H,15,16);1-6H,(H,17,20)(H,16,18,19);2-7H,1H3,(H,14,17)(H,13,15,16).
What are the key properties of 4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine?
4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 824.95 g/mol, XLogP of 10.26, 9 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1H-pyrazol-4-yl)-N-phenyl-1,3-thiazol-2-amine;4-(5-methyl-1H-pyrazol-4-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine;N-pyridin-2-yl-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 157108456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).