N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C14H8Cl2N2OS2 — CID 36663738

IUPACN-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H8Cl2N2OS2/c15-9-1-2-11(10(16)5-9)17-13(19)12-7-21-14(18-12)8-3-4-20-6-8/h1-7H,(H,17,19)
InChIKeyBRBWXSHRPFHYQN-UHFFFAOYSA-N
MW355.27 g/mol
LogP5.43
Rot. Bonds3

About N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 36663738) has the molecular formula C14H8Cl2N2OS2 and a molecular weight of 355.27 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID36663738
Molecular FormulaC14H8Cl2N2OS2
Molecular Weight355.27 g/mol
Exact Mass353.95
IUPAC NameN-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1csc(-c2ccsc2)n1
InChIInChI=1S/C14H8Cl2N2OS2/c15-9-1-2-11(10(16)5-9)17-13(19)12-7-21-14(18-12)8-3-4-20-6-8/h1-7H,(H,17,19)
InChIKeyBRBWXSHRPFHYQN-UHFFFAOYSA-N
XLogP5.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.27
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38741743
N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9087292
N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55450782
N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 46450564
N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51248246
N-(2-methyl-5-nitrophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663035
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 46565546
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357379
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 26721200
N-(4-chloro-2-methylphenyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 9138977

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 36663738) is N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is BRBWXSHRPFHYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2OS2/c15-9-1-2-11(10(16)5-9)17-13(19)12-7-21-14(18-12)8-3-4-20-6-8/h1-7H,(H,17,19).
What are the key properties of N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 355.27 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36663738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).