3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide

C8H12ClN3OS — CID 104879366

IUPAC3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide
SMILESCC(CC(N)=O)NCc1ncc(Cl)s1
InChIInChI=1S/C8H12ClN3OS/c1-5(2-7(10)13)11-4-8-12-3-6(9)14-8/h3,5,11H,2,4H2,1H3,(H2,10,13)
InChIKeyAIMBZLDQEVMTMY-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.15
Rot. Bonds5

About 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide

3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide (PubChem CID 104879366) has the molecular formula C8H12ClN3OS and a molecular weight of 233.72 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide.

Molecular Properties

Compound Name3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide
PubChem CID104879366
Molecular FormulaC8H12ClN3OS
Molecular Weight233.72 g/mol
Exact Mass233.04
IUPAC Name3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide
SMILESCC(CC(N)=O)NCc1ncc(Cl)s1
InChIInChI=1S/C8H12ClN3OS/c1-5(2-7(10)13)11-4-8-12-3-6(9)14-8/h3,5,11H,2,4H2,1H3,(H2,10,13)
InChIKeyAIMBZLDQEVMTMY-UHFFFAOYSA-N
XLogP1.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide 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

N-[(5-chloro-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66223891
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propan-2-ylpropanamide
CID 107124162
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-ethylpropanamide
CID 104878456
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-N-propylpropanamide
CID 104878455
2-[(5-chloro-1,3-thiazol-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104878840
N-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylamino]butanamide
CID 115724465
(1R)-1-(4-chlorophenyl)-N-[(5-chloro-1,3-thiazol-2-yl)methyl]ethanamine
CID 107124106
3-[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]butanamide
CID 115870437
(3S)-3-amino-3-(5-chloro-1,3-thiazol-2-yl)propanamide
CID 107124450
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]-3-methylbutan-2-ol
CID 104879543
3-[(2,3,6-trichlorophenyl)methylamino]butanamide
CID 113250261
3-[(5-methyl-1,3-thiazol-2-yl)methylamino]-N-phenylbutanamide
CID 75424353

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide?
The IUPAC name of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide (CID 104879366) is 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide.
What is the SMILES notation for 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide?
The canonical SMILES for 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide is CC(CC(N)=O)NCc1ncc(Cl)s1.
What is the InChIKey of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide?
The InChIKey is AIMBZLDQEVMTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3OS/c1-5(2-7(10)13)11-4-8-12-3-6(9)14-8/h3,5,11H,2,4H2,1H3,(H2,10,13).
What are the key properties of 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide?
3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide has a molecular weight of 233.72 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-thiazol-2-yl)methylamino]butanamide is sourced from PubChem (CID 104879366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).