N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide

C13H13ClN2OS — CID 1175964

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H13ClN2OS/c1-3-12(17)16(2)13-15-11(8-18-13)9-4-6-10(14)7-5-9/h4-8H,3H2,1-2H3
InChIKeyYUFHGJMUVWQPMR-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.84
Rot. Bonds3

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide (PubChem CID 1175964) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide
PubChem CID1175964
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H13ClN2OS/c1-3-12(17)16(2)13-15-11(8-18-13)9-4-6-10(14)7-5-9/h4-8H,3H2,1-2H3
InChIKeyYUFHGJMUVWQPMR-UHFFFAOYSA-N
XLogP3.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide (CID 1175964) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide is CCC(=O)N(C)c1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide?
The InChIKey is YUFHGJMUVWQPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c1-3-12(17)16(2)13-15-11(8-18-13)9-4-6-10(14)7-5-9/h4-8H,3H2,1-2H3.
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide has a molecular weight of 280.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-methylpropanamide is sourced from PubChem (CID 1175964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).