3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide

C7H9ClN2OS — CID 16795655

IUPAC3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCCl)s1
InChIInChI=1S/C7H9ClN2OS/c1-5-4-9-7(12-5)10-6(11)2-3-8/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyGWMYAQNUSRWJRW-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.02
Rot. Bonds3

About 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide

3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 16795655) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID16795655
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cnc(NC(=O)CCCl)s1
InChIInChI=1S/C7H9ClN2OS/c1-5-4-9-7(12-5)10-6(11)2-3-8/h4H,2-3H2,1H3,(H,9,10,11)
InChIKeyGWMYAQNUSRWJRW-UHFFFAOYSA-N
XLogP2.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,3-thiazol-2-yl)-4-oxopentanamide
CID 65416516
2,2-dimethyl-N-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]propanamide
CID 18155112
4-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 47242346
4-(2-methoxyethoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 60567543
3-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 24555170
4-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 2092099
4-(4-ethoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 3343017
3-(4-ethoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47378490
3-(4-bromophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 47366040
2-(2-hydroxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 78990794
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 59293942
4-[(6-chloro-2-pyridinyl)oxy]-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 155553594

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide (CID 16795655) is 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide is Cc1cnc(NC(=O)CCCl)s1.
What is the InChIKey of 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is GWMYAQNUSRWJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-5-4-9-7(12-5)10-6(11)2-3-8/h4H,2-3H2,1H3,(H,9,10,11).
What are the key properties of 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide?
3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 204.68 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 16795655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).