2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

C17H12Cl2N2OS — CID 30859274

IUPAC2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2)cs1
InChIInChI=1S/C17H12Cl2N2OS/c1-10-20-16(9-23-10)11-3-2-4-13(7-11)21-17(22)14-8-12(18)5-6-15(14)19/h2-9H,1H3,(H,21,22)
InChIKeyBYLFDVHTNSZWSQ-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.68
Rot. Bonds3

About 2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 30859274) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID30859274
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC Name2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESCc1nc(-c2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2)cs1
InChIInChI=1S/C17H12Cl2N2OS/c1-10-20-16(9-23-10)11-3-2-4-13(7-11)21-17(22)14-8-12(18)5-6-15(14)19/h2-9H,1H3,(H,21,22)
InChIKeyBYLFDVHTNSZWSQ-UHFFFAOYSA-N
XLogP5.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.27
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
CID 87012122
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748313
2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764139
2,5-dichloro-N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 90626071
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
2-(4-chloro-2-propanoylphenoxy)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 8891121
4-chloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-nitrobenzamide
CID 30859161
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 30859274) is 2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is Cc1nc(-c2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2)cs1.
What is the InChIKey of 2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is BYLFDVHTNSZWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c1-10-20-16(9-23-10)11-3-2-4-13(7-11)21-17(22)14-8-12(18)5-6-15(14)19/h2-9H,1H3,(H,21,22).
What are the key properties of 2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide?
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 363.27 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 30859274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).