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

C17H12Cl2N2OS — CID 2562898

IUPAC3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C17H12Cl2N2OS/c1-10-2-4-11(5-3-10)15-9-23-17(20-15)21-16(22)12-6-13(18)8-14(19)7-12/h2-9H,1H3,(H,20,21,22)
InChIKeyVHPVUPVENYXKJT-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.68
Rot. Bonds3

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

3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 2562898) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID2562898
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC Name3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)cc1
InChIInChI=1S/C17H12Cl2N2OS/c1-10-2-4-11(5-3-10)15-9-23-17(20-15)21-16(22)12-6-13(18)8-14(19)7-12/h2-9H,1H3,(H,20,21,22)
InChIKeyVHPVUPVENYXKJT-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

3,5-dichloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 5159271
3,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5005400
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
5-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 16953644
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 16619036
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661
4-acetamido-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7923619
3-chloro-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 4115065
4-chloro-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2332435
ethane;N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 153338927
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
3,5-dimethyl-N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46667813

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 2562898) is 3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is Cc1ccc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3)n2)cc1.
What is the InChIKey of 3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is VHPVUPVENYXKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c1-10-2-4-11(5-3-10)15-9-23-17(20-15)21-16(22)12-6-13(18)8-14(19)7-12/h2-9H,1H3,(H,20,21,22).
What are the key properties of 3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]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 3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 2562898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).