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

C10H13N3O2S — CID 71789101

IUPAC2,4-dimethyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CNC(=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)
InChIKeyHHQUQVXBVPYULD-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.38
Rot. Bonds2

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

2,4-dimethyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 71789101) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is 2,4-dimethyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID71789101
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Name2,4-dimethyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CNC(=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)
InChIKeyHHQUQVXBVPYULD-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide (CID 71789101) is 2,4-dimethyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CNC(=O)C2)s1.
What is the InChIKey of 2,4-dimethyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is HHQUQVXBVPYULD-UHFFFAOYSA-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).
What are the key properties of 2,4-dimethyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(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-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71789101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).