N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C14H9Cl2N3OS2 — CID 55450782

IUPACN-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESNc1c(Cl)cc(NC(=O)c2csc(-c3ccsc3)n2)cc1Cl
InChIInChI=1S/C14H9Cl2N3OS2/c15-9-3-8(4-10(16)12(9)17)18-13(20)11-6-22-14(19-11)7-1-2-21-5-7/h1-6H,17H2,(H,18,20)
InChIKeyHNPLEQZTJCNSKT-UHFFFAOYSA-N
MW370.29 g/mol
LogP5.01
Rot. Bonds3

About N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 55450782) has the molecular formula C14H9Cl2N3OS2 and a molecular weight of 370.29 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID55450782
Molecular FormulaC14H9Cl2N3OS2
Molecular Weight370.29 g/mol
Exact Mass368.96
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESNc1c(Cl)cc(NC(=O)c2csc(-c3ccsc3)n2)cc1Cl
InChIInChI=1S/C14H9Cl2N3OS2/c15-9-3-8(4-10(16)12(9)17)18-13(20)11-6-22-14(19-11)7-1-2-21-5-7/h1-6H,17H2,(H,18,20)
InChIKeyHNPLEQZTJCNSKT-UHFFFAOYSA-N
XLogP5.01
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.29
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
N-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663738
N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51248246
N'-[2-(4-chlorophenyl)acetyl]-2-thiophen-3-yl-1,3-thiazole-4-carbohydrazide
CID 46450564
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357379
N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9087292
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(2-fluoro-5-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38741743
N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38823864
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
2-N,6-N-bis(4-amino-3,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 39042283
N-[4-chloro-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 46550186

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 55450782) is N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is Nc1c(Cl)cc(NC(=O)c2csc(-c3ccsc3)n2)cc1Cl.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HNPLEQZTJCNSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3OS2/c15-9-3-8(4-10(16)12(9)17)18-13(20)11-6-22-14(19-11)7-1-2-21-5-7/h1-6H,17H2,(H,18,20).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 370.29 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55450782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).