2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide

C17H12Cl2N2OS — CID 3401823

IUPAC2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2OS/c1-10-2-7-13(14(19)8-10)16(22)21-17-20-15(9-23-17)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,21,22)
InChIKeyLZKUYQGTLOXRQD-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.68
Rot. Bonds3

About 2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide

2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide (PubChem CID 3401823) has the molecular formula C17H12Cl2N2OS and a molecular weight of 363.27 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
PubChem CID3401823
Molecular FormulaC17H12Cl2N2OS
Molecular Weight363.27 g/mol
Exact Mass362.00
IUPAC Name2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(Cl)c1
InChIInChI=1S/C17H12Cl2N2OS/c1-10-2-7-13(14(19)8-10)16(22)21-17-20-15(9-23-17)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,21,22)
InChIKeyLZKUYQGTLOXRQD-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

2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5057994
3,5-dichloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2562898
2,5-difluoro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 46667765
2-chloro-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 26066333
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 31948630
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
2-(4-chlorophenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 844056
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide
CID 2066122
2-[2-[(2-chloro-4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 106860455
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162603

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide (CID 3401823) is 2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide?
The InChIKey is LZKUYQGTLOXRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2OS/c1-10-2-7-13(14(19)8-10)16(22)21-17-20-15(9-23-17)11-3-5-12(18)6-4-11/h2-9H,1H3,(H,20,21,22).
What are the key properties of 2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide?
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide 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-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 3401823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).