2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide

C9H14BrN3OS — CID 79399042

IUPAC2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(Br)cs1
InChIInChI=1S/C9H14BrN3OS/c1-3-4-13(5-8(14)11-2)9-12-7(10)6-15-9/h6H,3-5H2,1-2H3,(H,11,14)
InChIKeyVAMIFLCEQZXWPK-UHFFFAOYSA-N
MW292.20 g/mol
LogP1.87
Rot. Bonds5

About 2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide

2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide (PubChem CID 79399042) has the molecular formula C9H14BrN3OS and a molecular weight of 292.20 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide
PubChem CID79399042
Molecular FormulaC9H14BrN3OS
Molecular Weight292.20 g/mol
Exact Mass291.00
IUPAC Name2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(Br)cs1
InChIInChI=1S/C9H14BrN3OS/c1-3-4-13(5-8(14)11-2)9-12-7(10)6-15-9/h6H,3-5H2,1-2H3,(H,11,14)
InChIKeyVAMIFLCEQZXWPK-UHFFFAOYSA-N
XLogP1.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide 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-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 79400515
2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide
CID 79399792
2-[(2-amino-5-bromopyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 80806174
2-[(5-bromo-2-chloropyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 79073261
2-[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696904
2-[(4-bromo-1,3-thiazol-2-yl)-methylamino]-N,N-dimethylacetamide
CID 79400004
methyl 2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetate
CID 80575671
2-[(4-bromo-1,3-thiazol-2-yl)-prop-2-ynylamino]acetic acid
CID 79398848
4-bromo-N-methyl-N-pentyl-1,3-thiazol-2-amine
CID 79398898
6-[[2-(methylamino)-2-oxoethyl]-propylamino]pyridazine-3-carboxylic acid
CID 54985072
2-[(5-amino-2-methyl-1H-imidazol-4-yl)-propylamino]-N-methylacetamide
CID 114995053
2-[(4-chloro-1,3-thiazol-2-yl)-methylamino]-N-methylacetamide
CID 83155588

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide (CID 79399042) is 2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1nc(Br)cs1.
What is the InChIKey of 2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide?
The InChIKey is VAMIFLCEQZXWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3OS/c1-3-4-13(5-8(14)11-2)9-12-7(10)6-15-9/h6H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide?
2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide has a molecular weight of 292.20 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-thiazol-2-yl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 79399042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).