3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

C16H10Cl2N2OS — CID 697363

IUPAC3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2N2OS/c17-12-7-6-11(8-13(12)18)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKeyAYVXSTQWLPUGKB-UHFFFAOYSA-N
MW349.24 g/mol
LogP5.37
Rot. Bonds3

About 3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide

3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 697363) has the molecular formula C16H10Cl2N2OS and a molecular weight of 349.24 g/mol. Its IUPAC name is 3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID697363
Molecular FormulaC16H10Cl2N2OS
Molecular Weight349.24 g/mol
Exact Mass347.99
IUPAC Name3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H10Cl2N2OS/c17-12-7-6-11(8-13(12)18)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKeyAYVXSTQWLPUGKB-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 3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 697363) is 3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is AYVXSTQWLPUGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2OS/c17-12-7-6-11(8-13(12)18)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21).
What are the key properties of 3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide 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 3,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 697363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).