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

C16H10Cl2N2OS — CID 599553

IUPAC2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N2OS/c17-11-6-7-12(13(18)8-11)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKeyMWSDOEQEOIKHRL-UHFFFAOYSA-N
MW349.24 g/mol
LogP5.37
Rot. Bonds3

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

2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (PubChem CID 599553) has the molecular formula C16H10Cl2N2OS and a molecular weight of 349.24 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
PubChem CID599553
Molecular FormulaC16H10Cl2N2OS
Molecular Weight349.24 g/mol
Exact Mass347.99
IUPAC Name2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2N2OS/c17-11-6-7-12(13(18)8-11)15(21)20-16-19-14(9-22-16)10-4-2-1-3-5-10/h1-9H,(H,19,20,21)
InChIKeyMWSDOEQEOIKHRL-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 2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide (CID 599553) is 2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is MWSDOEQEOIKHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2OS/c17-11-6-7-12(13(18)8-11)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 2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide?
2,4-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 2,4-dichloro-N-(4-phenyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 599553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).