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

C15H9Cl2N3OS — CID 2824238

IUPACN-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1csc(-c2cccnc2)n1
InChIInChI=1S/C15H9Cl2N3OS/c16-10-3-4-12(11(17)6-10)19-14(21)13-8-22-15(20-13)9-2-1-5-18-7-9/h1-8H,(H,19,21)
InChIKeyNTABXUYIVVKYKT-UHFFFAOYSA-N
MW350.23 g/mol
LogP4.76
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 2824238) has the molecular formula C15H9Cl2N3OS and a molecular weight of 350.23 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID2824238
Molecular FormulaC15H9Cl2N3OS
Molecular Weight350.23 g/mol
Exact Mass348.98
IUPAC NameN-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1csc(-c2cccnc2)n1
InChIInChI=1S/C15H9Cl2N3OS/c16-10-3-4-12(11(17)6-10)19-14(21)13-8-22-15(20-13)9-2-1-5-18-7-9/h1-8H,(H,19,21)
InChIKeyNTABXUYIVVKYKT-UHFFFAOYSA-N
XLogP4.76
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 2824238) is N-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)c1csc(-c2cccnc2)n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is NTABXUYIVVKYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3OS/c16-10-3-4-12(11(17)6-10)19-14(21)13-8-22-15(20-13)9-2-1-5-18-7-9/h1-8H,(H,19,21).
What are the key properties of N-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-(2,4-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 350.23 g/mol, XLogP of 4.76, 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-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 2824238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).