N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide

C13H17N5O2S — CID 97143321

IUPACN-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1ccn[nH]1)C(=O)Nc1nccs1
InChIInChI=1S/C13H17N5O2S/c1-8(2)7-10(12(20)17-13-14-5-6-21-13)16-11(19)9-3-4-15-18-9/h3-6,8,10H,7H2,1-2H3,(H,15,18)(H,16,19)(H,14,17,20)/t10-/m1/s1
InChIKeySNSXZIWMNLMJST-SNVBAGLBSA-N
MW307.38 g/mol
LogP1.65
Rot. Bonds6

About N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide

N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide (PubChem CID 97143321) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide
PubChem CID97143321
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide
SMILESCC(C)C[C@@H](NC(=O)c1ccn[nH]1)C(=O)Nc1nccs1
InChIInChI=1S/C13H17N5O2S/c1-8(2)7-10(12(20)17-13-14-5-6-21-13)16-11(19)9-3-4-15-18-9/h3-6,8,10H,7H2,1-2H3,(H,15,18)(H,16,19)(H,14,17,20)/t10-/m1/s1
InChIKeySNSXZIWMNLMJST-SNVBAGLBSA-N
XLogP1.65
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrrole-2-carboxamide
CID 75397995
4-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1,3-thiazole-5-carboxamide
CID 97143316
1-methyl-N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143319
1-methyl-N-[(2S)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]pyrazole-4-carboxamide
CID 97143318
N-[4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-5-(methylsulfonylmethyl)furan-2-carboxamide
CID 146124997
N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-1H-indole-2-carboxamide
CID 5171439
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
(2R)-4-methyl-N-(1,3-thiazol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]pentanamide
CID 164862469
(2S)-2-[(7-chloroquinazolin-4-yl)amino]-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 97254055
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
N-[3-hydroxy-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-2H-benzotriazole-5-carboxamide
CID 6415129
N-[(1S)-1-phenylethyl]-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide (CID 97143321) is N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide is CC(C)C[C@@H](NC(=O)c1ccn[nH]1)C(=O)Nc1nccs1.
What is the InChIKey of N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is SNSXZIWMNLMJST-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-8(2)7-10(12(20)17-13-14-5-6-21-13)16-11(19)9-3-4-15-18-9/h3-6,8,10H,7H2,1-2H3,(H,15,18)(H,16,19)(H,14,17,20)/t10-/m1/s1.
What are the key properties of N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide?
N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)pentan-2-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 97143321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).