N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride

C33H36Cl3N3O6S2 — CID 162071983

IUPACN-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride
SMILESCC(C)c1csc(C(=O)Cl)c1.COc1ccc(C(C)=O)c(N)c1Cl.COc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1Cl
InChIInChI=1S/C16H17ClN2O3S.C9H10ClNO2.C8H9ClOS/c1-8(2)11-7-23-16(18-11)15(21)19-14-10(9(3)20)5-6-12(22-4)13(14)17;1-5(12)6-3-4-7(13-2)8(10)9(6)11;1-5(2)6-3-7(8(9)10)11-4-6/h5-8H,1-4H3,(H,19,21);3-4H,11H2,1-2H3;3-5H,1-2H3
InChIKeyZBFCZBHGMJVHFN-UHFFFAOYSA-N
MW741.16 g/mol
LogP9.77
Rot. Bonds9

About N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride

N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride (PubChem CID 162071983) has the molecular formula C33H36Cl3N3O6S2 and a molecular weight of 741.16 g/mol. Its IUPAC name is N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride.

Molecular Properties

Compound NameN-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride
PubChem CID162071983
Molecular FormulaC33H36Cl3N3O6S2
Molecular Weight741.16 g/mol
Exact Mass739.11
IUPAC NameN-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride
SMILESCC(C)c1csc(C(=O)Cl)c1.COc1ccc(C(C)=O)c(N)c1Cl.COc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1Cl
InChIInChI=1S/C16H17ClN2O3S.C9H10ClNO2.C8H9ClOS/c1-8(2)11-7-23-16(18-11)15(21)19-14-10(9(3)20)5-6-12(22-4)13(14)17;1-5(12)6-3-4-7(13-2)8(10)9(6)11;1-5(2)6-3-7(8(9)10)11-4-6/h5-8H,1-4H3,(H,19,21);3-4H,11H2,1-2H3;3-5H,1-2H3
InChIKeyZBFCZBHGMJVHFN-UHFFFAOYSA-N
XLogP9.77
TPSA137.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.16
LogP ≤ 59.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride?
The IUPAC name of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride (CID 162071983) is N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride.
What is the SMILES notation for N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride?
The canonical SMILES for N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride is CC(C)c1csc(C(=O)Cl)c1.COc1ccc(C(C)=O)c(N)c1Cl.COc1ccc(C(C)=O)c(NC(=O)c2nc(C(C)C)cs2)c1Cl.
What is the InChIKey of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride?
The InChIKey is ZBFCZBHGMJVHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S.C9H10ClNO2.C8H9ClOS/c1-8(2)11-7-23-16(18-11)15(21)19-14-10(9(3)20)5-6-12(22-4)13(14)17;1-5(12)6-3-4-7(13-2)8(10)9(6)11;1-5(2)6-3-7(8(9)10)11-4-6/h5-8H,1-4H3,(H,19,21);3-4H,11H2,1-2H3;3-5H,1-2H3.
What are the key properties of N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride?
N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride has a molecular weight of 741.16 g/mol, XLogP of 9.77, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-2-chloro-3-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;1-(2-amino-3-chloro-4-methoxyphenyl)ethanone;4-propan-2-ylthiophene-2-carbonyl chloride is sourced from PubChem (CID 162071983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).