3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide

C8H11BrN4OS — CID 130979775

IUPAC3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2nc(Br)cs2)C1
InChIInChI=1S/C8H11BrN4OS/c9-6-4-15-8(12-6)11-5-1-2-13(3-5)7(10)14/h4-5H,1-3H2,(H2,10,14)(H,11,12)
InChIKeyBNJDPHYEEPOTHY-UHFFFAOYSA-N
MW291.17 g/mol
LogP1.47
Rot. Bonds2

About 3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide

3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide (PubChem CID 130979775) has the molecular formula C8H11BrN4OS and a molecular weight of 291.17 g/mol. Its IUPAC name is 3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide
PubChem CID130979775
Molecular FormulaC8H11BrN4OS
Molecular Weight291.17 g/mol
Exact Mass289.98
IUPAC Name3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCC(Nc2nc(Br)cs2)C1
InChIInChI=1S/C8H11BrN4OS/c9-6-4-15-8(12-6)11-5-1-2-13(3-5)7(10)14/h4-5H,1-3H2,(H2,10,14)(H,11,12)
InChIKeyBNJDPHYEEPOTHY-UHFFFAOYSA-N
XLogP1.47
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 79399978
3-[(4-bromo-1,3-thiazol-2-yl)amino]cyclohexane-1-carboxylic acid
CID 79400195
2-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569182
2-[4-[(4-bromo-1,3-thiazol-2-yl)amino]piperidin-1-yl]acetonitrile
CID 79398849
3-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxamide
CID 86788817
4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid
CID 87593845
azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
3-[[3-(2-methylpropyl)-1,2,4-thiadiazol-5-yl]amino]piperidine-1-carboxamide
CID 133484820
[2-(cyclopropylamino)-1,3-thiazol-4-yl]-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]methanone
CID 97061951
2-[(1-methyl-6-oxopiperidin-3-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568637
ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3-thiazole-4-carboxylate
CID 23131099
tert-butyl 3-(1,3-thiazol-2-ylamino)pyrrolidine-1-carboxylate
CID 71629653

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide (CID 130979775) is 3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide is NC(=O)N1CCC(Nc2nc(Br)cs2)C1.
What is the InChIKey of 3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide?
The InChIKey is BNJDPHYEEPOTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN4OS/c9-6-4-15-8(12-6)11-5-1-2-13(3-5)7(10)14/h4-5H,1-3H2,(H2,10,14)(H,11,12).
What are the key properties of 3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide?
3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide has a molecular weight of 291.17 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-1,3-thiazol-2-yl)amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 130979775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).