2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide

C10H13N3O2S — CID 95984995

IUPAC2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H]2CNC(=O)C2)s1
InChIInChI=1S/C10H13N3O2S/c1-5-9(16-6(2)12-5)10(15)13-7-3-8(14)11-4-7/h7H,3-4H2,1-2H3,(H,11,14)(H,13,15)/t7-/m0/s1
InChIKeyHHQUQVXBVPYULD-ZETCQYMHSA-N
MW239.30 g/mol
LogP0.38
Rot. Bonds2

About 2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 95984995) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID95984995
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N[C@@H]2CNC(=O)C2)s1
InChIInChI=1S/C10H13N3O2S/c1-5-9(16-6(2)12-5)10(15)13-7-3-8(14)11-4-7/h7H,3-4H2,1-2H3,(H,11,14)(H,13,15)/t7-/m0/s1
InChIKeyHHQUQVXBVPYULD-ZETCQYMHSA-N
XLogP0.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
CID 106187689
5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 136547555
N-cycloheptyl-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9123260
N-(4-hydroxycyclohexyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43389612
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
2,4-dimethyl-N-[(3S)-2-oxopiperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 94364000
N-(2-hydroxycyclobutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 126856470
N-[2-(cyclopropylamino)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103806373
2,4-dimethyl-N-[(6R)-2-methyl-3-oxo-5,6,7,8-tetrahydrocinnolin-6-yl]-1,3-thiazole-5-carboxamide
CID 100751706
2,4-dimethyl-N-[3-[(3-oxo-5,6,7,8-tetrahydro-2H-[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl)amino]cyclobutyl]-1,3-thiazole-5-carboxamide
CID 166333204
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
4-methyl-2-[(6-oxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570173

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide (CID 95984995) is 2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N[C@@H]2CNC(=O)C2)s1.
What is the InChIKey of 2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is HHQUQVXBVPYULD-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-5-9(16-6(2)12-5)10(15)13-7-3-8(14)11-4-7/h7H,3-4H2,1-2H3,(H,11,14)(H,13,15)/t7-/m0/s1.
What are the key properties of 2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 239.30 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95984995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).