N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

C8H10BrN3OS — CID 79161232

IUPACN-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ncc(Br)s1)N1CCCC1
InChIInChI=1S/C8H10BrN3OS/c9-6-5-10-7(14-6)11-8(13)12-3-1-2-4-12/h5H,1-4H2,(H,10,11,13)
InChIKeyZDSSQDZFVBTZSG-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.53
Rot. Bonds1

About N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 79161232) has the molecular formula C8H10BrN3OS and a molecular weight of 276.16 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID79161232
Molecular FormulaC8H10BrN3OS
Molecular Weight276.16 g/mol
Exact Mass274.97
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ncc(Br)s1)N1CCCC1
InChIInChI=1S/C8H10BrN3OS/c9-6-5-10-7(14-6)11-8(13)12-3-1-2-4-12/h5H,1-4H2,(H,10,11,13)
InChIKeyZDSSQDZFVBTZSG-UHFFFAOYSA-N
XLogP2.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-bromo-1,3-thiazol-2-yl)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

2-[4-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62823246
3-[4-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]propanoic acid
CID 61205805
N-[5-(hydroxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 87638926
3-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 79155683
N-(5-bromo-1,3-thiazol-2-yl)cyclooctanecarboxamide
CID 65018719
N-[5-(2-methylpropyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 84587563
1-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149020
N-[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 142215501
N-(5-bromo-1,3-thiazol-2-yl)-2,2-dicyclohexylacetamide
CID 118104957
4-amino-N-(5-bromo-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 60849806
(2S,4R)-1-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842344
2-amino-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 60785743

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide (CID 79161232) is N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is O=C(Nc1ncc(Br)s1)N1CCCC1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is ZDSSQDZFVBTZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3OS/c9-6-5-10-7(14-6)11-8(13)12-3-1-2-4-12/h5H,1-4H2,(H,10,11,13).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 276.16 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79161232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).