3-chloro-N-(1,2-thiazol-4-yl)propanamide

C6H7ClN2OS — CID 164646364

IUPAC3-chloro-N-(1,2-thiazol-4-yl)propanamide
SMILESO=C(CCCl)Nc1cnsc1
InChIInChI=1S/C6H7ClN2OS/c7-2-1-6(10)9-5-3-8-11-4-5/h3-4H,1-2H2,(H,9,10)
InChIKeyCRPXELREGSDOQO-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.71
Rot. Bonds3

About 3-chloro-N-(1,2-thiazol-4-yl)propanamide

3-chloro-N-(1,2-thiazol-4-yl)propanamide (PubChem CID 164646364) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is 3-chloro-N-(1,2-thiazol-4-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(1,2-thiazol-4-yl)propanamide
PubChem CID164646364
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC Name3-chloro-N-(1,2-thiazol-4-yl)propanamide
SMILESO=C(CCCl)Nc1cnsc1
InChIInChI=1S/C6H7ClN2OS/c7-2-1-6(10)9-5-3-8-11-4-5/h3-4H,1-2H2,(H,9,10)
InChIKeyCRPXELREGSDOQO-UHFFFAOYSA-N
XLogP1.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1,2-thiazol-4-yl)propanamide?
The IUPAC name of 3-chloro-N-(1,2-thiazol-4-yl)propanamide (CID 164646364) is 3-chloro-N-(1,2-thiazol-4-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(1,2-thiazol-4-yl)propanamide?
The canonical SMILES for 3-chloro-N-(1,2-thiazol-4-yl)propanamide is O=C(CCCl)Nc1cnsc1.
What is the InChIKey of 3-chloro-N-(1,2-thiazol-4-yl)propanamide?
The InChIKey is CRPXELREGSDOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c7-2-1-6(10)9-5-3-8-11-4-5/h3-4H,1-2H2,(H,9,10).
What are the key properties of 3-chloro-N-(1,2-thiazol-4-yl)propanamide?
3-chloro-N-(1,2-thiazol-4-yl)propanamide has a molecular weight of 190.66 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1,2-thiazol-4-yl)propanamide is sourced from PubChem (CID 164646364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).