N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

C15H16ClN3O2S — CID 30598321

IUPACN-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C15H16ClN3O2S/c1-9-13(14(21)18-8-7-17-10(2)20)22-15(19-9)11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyRLKBVSROJSKKFF-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.64
Rot. Bonds5

About N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 30598321) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID30598321
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC NameN-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCC(=O)NCCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C
InChIInChI=1S/C15H16ClN3O2S/c1-9-13(14(21)18-8-7-17-10(2)20)22-15(19-9)11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyRLKBVSROJSKKFF-UHFFFAOYSA-N
XLogP2.64
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 30598321) is N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is CC(=O)NCCNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C.
What is the InChIKey of N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RLKBVSROJSKKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-9-13(14(21)18-8-7-17-10(2)20)22-15(19-9)11-3-5-12(16)6-4-11/h3-6H,7-8H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 337.83 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30598321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).