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

C6H7ClN2OS — CID 26285

IUPACN-(5-chloro-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1ncc(Cl)s1
InChIInChI=1S/C6H7ClN2OS/c1-2-5(10)9-6-8-3-4(7)11-6/h3H,2H2,1H3,(H,8,9,10)
InChIKeyXMEIPRIOGBNKAJ-UHFFFAOYSA-N
MW190.66 g/mol
LogP2.14
Rot. Bonds2

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

N-(5-chloro-1,3-thiazol-2-yl)propanamide (PubChem CID 26285) has the molecular formula C6H7ClN2OS and a molecular weight of 190.66 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)propanamide
PubChem CID26285
Molecular FormulaC6H7ClN2OS
Molecular Weight190.66 g/mol
Exact Mass190.00
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)propanamide
SMILESCCC(=O)Nc1ncc(Cl)s1
InChIInChI=1S/C6H7ClN2OS/c1-2-5(10)9-6-8-3-4(7)11-6/h3H,2H2,1H3,(H,8,9,10)
InChIKeyXMEIPRIOGBNKAJ-UHFFFAOYSA-N
XLogP2.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)propanamide (CID 26285) is N-(5-chloro-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)propanamide is CCC(=O)Nc1ncc(Cl)s1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)propanamide?
The InChIKey is XMEIPRIOGBNKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2OS/c1-2-5(10)9-6-8-3-4(7)11-6/h3H,2H2,1H3,(H,8,9,10).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)propanamide?
N-(5-chloro-1,3-thiazol-2-yl)propanamide has a molecular weight of 190.66 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 26285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).