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

C16H10Cl2N2OS — CID 1486915

IUPACN-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H10Cl2N2OS/c17-12-7-6-11(8-13(12)18)19-15(21)14-9-22-16(20-14)10-4-2-1-3-5-10/h1-9H,(H,19,21)
InChIKeyZHCOTMNYGOBBPG-UHFFFAOYSA-N
MW349.24 g/mol
LogP5.37
Rot. Bonds3

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

N-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 1486915) has the molecular formula C16H10Cl2N2OS and a molecular weight of 349.24 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID1486915
Molecular FormulaC16H10Cl2N2OS
Molecular Weight349.24 g/mol
Exact Mass347.99
IUPAC NameN-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H10Cl2N2OS/c17-12-7-6-11(8-13(12)18)19-15(21)14-9-22-16(20-14)10-4-2-1-3-5-10/h1-9H,(H,19,21)
InChIKeyZHCOTMNYGOBBPG-UHFFFAOYSA-N
XLogP5.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.24
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 1486915) is N-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1csc(-c2ccccc2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZHCOTMNYGOBBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2OS/c17-12-7-6-11(8-13(12)18)19-15(21)14-9-22-16(20-14)10-4-2-1-3-5-10/h1-9H,(H,19,21).
What are the key properties of N-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 349.24 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 1486915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).