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

C14H15ClN2OS — CID 62727733

IUPAC3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
SMILESCc1csc(N(C(=O)C(C)CCl)c2ccccc2)n1
InChIInChI=1S/C14H15ClN2OS/c1-10(8-15)13(18)17(12-6-4-3-5-7-12)14-16-11(2)9-19-14/h3-7,9-10H,8H2,1-2H3
InChIKeyXNAJIWQPXHWENM-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.99
Rot. Bonds4

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

3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide (PubChem CID 62727733) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
PubChem CID62727733
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC Name3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
SMILESCc1csc(N(C(=O)C(C)CCl)c2ccccc2)n1
InChIInChI=1S/C14H15ClN2OS/c1-10(8-15)13(18)17(12-6-4-3-5-7-12)14-16-11(2)9-19-14/h3-7,9-10H,8H2,1-2H3
InChIKeyXNAJIWQPXHWENM-UHFFFAOYSA-N
XLogP3.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-benzylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide
CID 51958198
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylprop-2-enamide
CID 43616649
N-(4-methyl-1,3-thiazol-2-yl)-N-phenylhexanamide
CID 78778253
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylthiophene-2-carboxamide
CID 9110040
2,2-dichloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylcyclopropane-1-carboxamide
CID 78778238
N-(4-methyl-1,3-thiazol-2-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)-N-phenylacetamide
CID 55883933
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-3-carboxamide
CID 52895835
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyrimidine-4-carboxamide
CID 75415495
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-4-(propan-2-ylsulfamoyl)benzamide
CID 16593120
N-[4-(N-(4-methyl-1,3-thiazol-2-yl)anilino)-4-oxobutyl]benzamide
CID 51180502
(2S)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25492097
2-chloro-6-(dimethylamino)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpyridine-4-carboxamide
CID 99807622

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide?
The IUPAC name of 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide (CID 62727733) is 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide is Cc1csc(N(C(=O)C(C)CCl)c2ccccc2)n1.
What is the InChIKey of 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide?
The InChIKey is XNAJIWQPXHWENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-10(8-15)13(18)17(12-6-4-3-5-7-12)14-16-11(2)9-19-14/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide?
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide has a molecular weight of 294.81 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylpropanamide is sourced from PubChem (CID 62727733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).