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

C9H10BrN3O2S — CID 136547555

IUPAC5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CNC(=O)C2)c(Br)s1
InChIInChI=1S/C9H10BrN3O2S/c1-4-12-7(8(10)16-4)9(15)13-5-2-6(14)11-3-5/h5H,2-3H2,1H3,(H,11,14)(H,13,15)
InChIKeyJQAFHOSVJPZTGW-UHFFFAOYSA-N
MW304.17 g/mol
LogP0.83
Rot. Bonds2

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

5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 136547555) has the molecular formula C9H10BrN3O2S and a molecular weight of 304.17 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID136547555
Molecular FormulaC9H10BrN3O2S
Molecular Weight304.17 g/mol
Exact Mass302.97
IUPAC Name5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC2CNC(=O)C2)c(Br)s1
InChIInChI=1S/C9H10BrN3O2S/c1-4-12-7(8(10)16-4)9(15)13-5-2-6(14)11-3-5/h5H,2-3H2,1H3,(H,11,14)(H,13,15)
InChIKeyJQAFHOSVJPZTGW-UHFFFAOYSA-N
XLogP0.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[(3S)-5-oxopyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 95984995
2-amino-4-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-5-carboxamide
CID 106187689
5-(ethylamino)-N-(5-oxopyrrolidin-3-yl)-1,3,4-thiadiazole-2-carboxamide
CID 106197790
2-amino-6-methyl-N-(5-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 106197815
5-bromo-N-[(3R)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95984966
5-amino-N-(5-oxopyrrolidin-3-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 106197750
N-(5-oxopyrrolidin-3-yl)-4-sulfanylbenzamide
CID 106198052
4-bromo-1-methyl-N-(5-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 103954038
2-chloro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 106186093
3-(ethylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187570
2-amino-5-bromo-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 114157018
5-bromo-2-chloro-N-(5-oxopyrrolidin-3-yl)pyridine-3-carboxamide
CID 103951497

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide (CID 136547555) is 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC2CNC(=O)C2)c(Br)s1.
What is the InChIKey of 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JQAFHOSVJPZTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2S/c1-4-12-7(8(10)16-4)9(15)13-5-2-6(14)11-3-5/h5H,2-3H2,1H3,(H,11,14)(H,13,15).
What are the key properties of 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide?
5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 304.17 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(5-oxopyrrolidin-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136547555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).