N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C13H9N3OS2 — CID 39471735

IUPACN-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccncc1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H9N3OS2/c17-12(15-10-1-4-14-5-2-10)11-8-19-13(16-11)9-3-6-18-7-9/h1-8H,(H,14,15,17)
InChIKeyZSOYUFDVMZYZPI-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.52
Rot. Bonds3

About N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 39471735) has the molecular formula C13H9N3OS2 and a molecular weight of 287.37 g/mol. Its IUPAC name is N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID39471735
Molecular FormulaC13H9N3OS2
Molecular Weight287.37 g/mol
Exact Mass287.02
IUPAC NameN-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccncc1)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H9N3OS2/c17-12(15-10-1-4-14-5-2-10)11-8-19-13(16-11)9-3-6-18-7-9/h1-8H,(H,14,15,17)
InChIKeyZSOYUFDVMZYZPI-UHFFFAOYSA-N
XLogP3.52
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55450782
N-(4-acetyl-1,3-thiazol-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51248246
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-(2,4-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 36663738
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
N-[4-(cyclopropylmethylsulfamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 78877116
2-pyrazin-2-yl-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 100617019
N-(2-hydroxy-4-methylphenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9087292
N-oxido-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 88725895
N-(1-cyclopropylethyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 17458448

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 39471735) is N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccncc1)c1csc(-c2ccsc2)n1.
What is the InChIKey of N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZSOYUFDVMZYZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS2/c17-12(15-10-1-4-14-5-2-10)11-8-19-13(16-11)9-3-6-18-7-9/h1-8H,(H,14,15,17).
What are the key properties of N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 39471735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).