2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

C17H18N4O2S — CID 71856785

IUPAC2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1c(NC(=O)c2cnc(Cc3ccccc3)s2)c(C)nn1C
InChIInChI=1S/C17H18N4O2S/c1-11-15(17(23-3)21(2)20-11)19-16(22)13-10-18-14(24-13)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,19,22)
InChIKeyNKSWAHROWQVKQG-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.04
Rot. Bonds5

About 2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 71856785) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID71856785
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1c(NC(=O)c2cnc(Cc3ccccc3)s2)c(C)nn1C
InChIInChI=1S/C17H18N4O2S/c1-11-15(17(23-3)21(2)20-11)19-16(22)13-10-18-14(24-13)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,19,22)
InChIKeyNKSWAHROWQVKQG-UHFFFAOYSA-N
XLogP3.04
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-phenoxyethyl)-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 117086903
N-[2-(4-methoxyphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide
CID 117087862
N-benzyl-4-methyl-2-[1-(2-phenoxyethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 24951860
N-(2,5-dimethyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547902
N-(5-amino-2-methyl-3-pyridinyl)-2-(2-methoxy-3-pyridinyl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547933
2-(4-methoxyphenyl)-4-methyl-N-(1-methyl-1H-pyrazol-4-yl)thiazole-5-carboxamide
CID 32606571
3-methoxy-1-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
CID 44053965
3-methoxy-1-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]pyrazole-4-carboxamide
CID 44054025
3-methoxy-1-methyl-N-(2-(3-(4-methyl-2-phenylthiazol-5-yl)-6-oxopyridazin-1(6H)-yl)ethyl)-1H-pyrazole-4-carboxamide
CID 49740559
2-benzyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56223354
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 56223394
1-(2-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide
CID 70706014

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide (CID 71856785) is 2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is COc1c(NC(=O)c2cnc(Cc3ccccc3)s2)c(C)nn1C.
What is the InChIKey of 2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is NKSWAHROWQVKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-15(17(23-3)21(2)20-11)19-16(22)13-10-18-14(24-13)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,19,22).
What are the key properties of 2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide?
2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(5-methoxy-1,3-dimethylpyrazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71856785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).