2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide

C26H23ClN2OS — CID 126213122

IUPAC2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)c(C)c3)n2C)c(Cl)c1
InChIInChI=1S/C26H23ClN2OS/c1-16-10-13-21(22(27)14-16)25(30)28-26-29(4)23(20-12-11-17(2)18(3)15-20)24(31-26)19-8-6-5-7-9-19/h5-15H,1-4H3/b28-26-
InChIKeyNBTNZLDEAQZPQA-SGEDCAFJSA-N
MW447.00 g/mol
LogP6.74
Rot. Bonds3

About 2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide

2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide (PubChem CID 126213122) has the molecular formula C26H23ClN2OS and a molecular weight of 447.00 g/mol. Its IUPAC name is 2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
PubChem CID126213122
Molecular FormulaC26H23ClN2OS
Molecular Weight447.00 g/mol
Exact Mass446.12
IUPAC Name2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)c(C)c3)n2C)c(Cl)c1
InChIInChI=1S/C26H23ClN2OS/c1-16-10-13-21(22(27)14-16)25(30)28-26-29(4)23(20-12-11-17(2)18(3)15-20)24(31-26)19-8-6-5-7-9-19/h5-15H,1-4H3/b28-26-
InChIKeyNBTNZLDEAQZPQA-SGEDCAFJSA-N
XLogP6.74
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.00
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126198964
2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126204573
N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide
CID 126210567
3-methyl-N-(3-methyl-4,5-diphenyl-1,3-thiazol-2-ylidene)benzamide
CID 126212032
2-chloro-N-[3,5-dimethyl-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]-4-nitrobenzamide
CID 126203831
4-tert-butyl-N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]benzamide
CID 126201256
N-(7-chloro-3,4-dimethyl-1,3-benzothiazol-2-ylidene)-2,4-dimethylbenzamide
CID 40885538
N-[3-methyl-5-phenyl-4-(4-phenylphenyl)-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 3448125
N-[4-(4-bromophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-2-chloro-4-nitrobenzamide
CID 126202254
2,4-dichloro-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 126209248
N-(4,6-dichloro-3-methyl-1,3-benzothiazol-2-ylidene)-2,5-dimethylbenzamide
CID 40885526
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
CID 4984113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide?
The IUPAC name of 2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide (CID 126213122) is 2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide?
The canonical SMILES for 2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide is Cc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)c(C)c3)n2C)c(Cl)c1.
What is the InChIKey of 2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide?
The InChIKey is NBTNZLDEAQZPQA-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H23ClN2OS/c1-16-10-13-21(22(27)14-16)25(30)28-26-29(4)23(20-12-11-17(2)18(3)15-20)24(31-26)19-8-6-5-7-9-19/h5-15H,1-4H3/b28-26-.
What are the key properties of 2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide?
2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide has a molecular weight of 447.00 g/mol, XLogP of 6.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide is sourced from PubChem (CID 126213122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).