N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C17H18N4OS — CID 86990195

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n1
InChIInChI=1S/C17H18N4OS/c1-10-8-11(2)21(20-10)15-7-5-6-14(9-15)19-17(22)16-12(3)18-13(4)23-16/h5-9H,1-4H3,(H,19,22)
InChIKeyNSTOPCMNAGFDPV-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.81
Rot. Bonds3

About N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 86990195) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID86990195
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n1
InChIInChI=1S/C17H18N4OS/c1-10-8-11(2)21(20-10)15-7-5-6-14(9-15)19-17(22)16-12(3)18-13(4)23-16/h5-9H,1-4H3,(H,19,22)
InChIKeyNSTOPCMNAGFDPV-UHFFFAOYSA-N
XLogP3.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethyl-N-[3-(3-methyl-1,2,4-triazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 75395351
N-(3-acetylphenyl)-2-(3,5-dimethylpyrazol-1-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 23611507
N-(3-iodophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 17399100
2,4-dimethyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 47097986
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78875769
(2R)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294780
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294768
2,4-dimethyl-N-[3-(methylaminomethyl)phenyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119441008
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 55661802
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 146122551
1-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(1-methylindol-5-yl)urea
CID 139889780
2,4-dimethyl-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 136578426

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 86990195) is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1cc(C)n(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is NSTOPCMNAGFDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-10-8-11(2)21(20-10)15-7-5-6-14(9-15)19-17(22)16-12(3)18-13(4)23-16/h5-9H,1-4H3,(H,19,22).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 86990195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).