1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide

C14H19N5O2S — CID 97143318

IUPAC1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cnn(C)c1)C(=O)Nc1nccs1
InChIInChI=1S/C14H19N5O2S/c1-9(2)6-11(13(21)18-14-15-4-5-22-14)17-12(20)10-7-16-19(3)8-10/h4-5,7-9,11H,6H2,1-3H3,(H,17,20)(H,15,18,21)/t11-/m0/s1
InChIKeyQMRZJWFNGRALFX-NSHDSACASA-N
MW321.41 g/mol
LogP1.66
Rot. Bonds6

About 1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide

1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide (PubChem CID 97143318) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
PubChem CID97143318
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1cnn(C)c1)C(=O)Nc1nccs1
InChIInChI=1S/C14H19N5O2S/c1-9(2)6-11(13(21)18-14-15-4-5-22-14)17-12(20)10-7-16-19(3)8-10/h4-5,7-9,11H,6H2,1-3H3,(H,17,20)(H,15,18,21)/t11-/m0/s1
InChIKeyQMRZJWFNGRALFX-NSHDSACASA-N
XLogP1.66
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143319
4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide
CID 97143316
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide
CID 97143321
4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide
CID 75397995
N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 146124997
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
CID 61247345
N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1,3-benzodioxole-5-carboxamide
CID 4159784
N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 114299684
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
3-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 47298454
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide (CID 97143318) is 1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide is CC(C)C[C@H](NC(=O)c1cnn(C)c1)C(=O)Nc1nccs1.
What is the InChIKey of 1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide?
The InChIKey is QMRZJWFNGRALFX-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-9(2)6-11(13(21)18-14-15-4-5-22-14)17-12(20)10-7-16-19(3)8-10/h4-5,7-9,11H,6H2,1-3H3,(H,17,20)(H,15,18,21)/t11-/m0/s1.
What are the key properties of 1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide?
1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 97143318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).