4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

C15H11N3OS — CID 90643523

IUPAC4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(-c2ccncc2)nc1-c1ccccc1
InChIInChI=1S/C15H11N3OS/c16-14(19)13-12(10-4-2-1-3-5-10)18-15(20-13)11-6-8-17-9-7-11/h1-9H,(H2,16,19)
InChIKeyJXEMNKCPYYRJQQ-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.97
Rot. Bonds3

About 4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide

4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (PubChem CID 90643523) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
PubChem CID90643523
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(-c2ccncc2)nc1-c1ccccc1
InChIInChI=1S/C15H11N3OS/c16-14(19)13-12(10-4-2-1-3-5-10)18-15(20-13)11-6-8-17-9-7-11/h1-9H,(H2,16,19)
InChIKeyJXEMNKCPYYRJQQ-UHFFFAOYSA-N
XLogP2.97
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide (CID 90643523) is 4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is NC(=O)c1sc(-c2ccncc2)nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
The InChIKey is JXEMNKCPYYRJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c16-14(19)13-12(10-4-2-1-3-5-10)18-15(20-13)11-6-8-17-9-7-11/h1-9H,(H2,16,19).
What are the key properties of 4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide?
4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90643523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).