5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C16H16N4OS — CID 71703255

IUPAC5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cnn(C)c2)c(Cc2ccccc2)s1
InChIInChI=1S/C16H16N4OS/c1-11-18-15(16(21)19-13-9-17-20(2)10-13)14(22-11)8-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,19,21)
InChIKeyGEMCGEPSJDEXGC-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.03
Rot. Bonds4

About 5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 71703255) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID71703255
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cnn(C)c2)c(Cc2ccccc2)s1
InChIInChI=1S/C16H16N4OS/c1-11-18-15(16(21)19-13-9-17-20(2)10-13)14(22-11)8-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,19,21)
InChIKeyGEMCGEPSJDEXGC-UHFFFAOYSA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 58464949
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CID 54927465
5-methyl-N-(1-methylpyrazol-4-yl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 32606809
1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 32607487
N-(1-methylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 32605407
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
2,5-dimethyl-N-(1-methylpyrazol-4-yl)thiophene-3-carboxamide
CID 32605378
N-(1-methylpyrazol-4-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43429946
2-[(1-methylpyrazol-4-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61199623
2-benzyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32604284
2-(furan-2-yl)-N-(1-methylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 32608675
4-bromo-1-methyl-N-[1-(2-phenylethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 95744528

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 71703255) is 5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cnn(C)c2)c(Cc2ccccc2)s1.
What is the InChIKey of 5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is GEMCGEPSJDEXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-11-18-15(16(21)19-13-9-17-20(2)10-13)14(22-11)8-12-6-4-3-5-7-12/h3-7,9-10H,8H2,1-2H3,(H,19,21).
What are the key properties of 5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-methyl-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71703255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).