3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide

C16H17N5OS — CID 42044523

IUPAC3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H17N5OS/c1-11-14(16(17-2)23-20-11)15(22)18-8-12-9-19-21(10-12)13-6-4-3-5-7-13/h3-7,9-10,17H,8H2,1-2H3,(H,18,22)
InChIKeyVGGABKSCWXCNQW-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.61
Rot. Bonds5

About 3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide

3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide (PubChem CID 42044523) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide
PubChem CID42044523
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide
SMILESCNc1snc(C)c1C(=O)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H17N5OS/c1-11-14(16(17-2)23-20-11)15(22)18-8-12-9-19-21(10-12)13-6-4-3-5-7-13/h3-7,9-10,17H,8H2,1-2H3,(H,18,22)
InChIKeyVGGABKSCWXCNQW-UHFFFAOYSA-N
XLogP2.61
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
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CID 39058604
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
2,3,5-trichloro-6-hydroxy-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112821059
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 42044485
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119699560
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
N-[(1-phenylpyrazol-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824669
2,3-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 134035985
2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 34660130

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide (CID 42044523) is 3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide is CNc1snc(C)c1C(=O)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide?
The InChIKey is VGGABKSCWXCNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-14(16(17-2)23-20-11)15(22)18-8-12-9-19-21(10-12)13-6-4-3-5-7-13/h3-7,9-10,17H,8H2,1-2H3,(H,18,22).
What are the key properties of 3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide?
3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(methylamino)-N-[(1-phenylpyrazol-4-yl)methyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 42044523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).