3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide

C8H11ClN2OS — CID 82110386

IUPAC3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCCl)c1cncs1
InChIInChI=1S/C8H11ClN2OS/c1-6(7-4-10-5-13-7)11-8(12)2-3-9/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyZAEDMLPQEAPLAN-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.95
Rot. Bonds4

About 3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide

3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide (PubChem CID 82110386) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide
PubChem CID82110386
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)CCCl)c1cncs1
InChIInChI=1S/C8H11ClN2OS/c1-6(7-4-10-5-13-7)11-8(12)2-3-9/h4-6H,2-3H2,1H3,(H,11,12)
InChIKeyZAEDMLPQEAPLAN-UHFFFAOYSA-N
XLogP1.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide 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-methyl-3-[1-(1,3-thiazol-5-yl)ethylamino]propanamide
CID 115712697
2-bromo-2-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide
CID 82109909
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 115707088
1-methyl-N-[1-(1,3-thiazol-5-yl)ethyl]triazole-4-carboxamide
CID 146121249
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604
1-piperidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 113260255
methyl (2S)-3-methyl-2-[1-(1,3-thiazol-5-yl)ethylamino]butanoate
CID 104865935
N-[(1R)-1-(4-bromophenyl)ethyl]-3-chloropropanamide
CID 81359144
1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
CID 115718069
3-chloro-N-[1-(5-methylfuran-2-yl)ethyl]propanamide
CID 43697661

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide (CID 82110386) is 3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide is CC(NC(=O)CCCl)c1cncs1.
What is the InChIKey of 3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide?
The InChIKey is ZAEDMLPQEAPLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-6(7-4-10-5-13-7)11-8(12)2-3-9/h4-6H,2-3H2,1H3,(H,11,12).
What are the key properties of 3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide?
3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide has a molecular weight of 218.71 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(1,3-thiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 82110386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).