N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide

C25H21ClN2O3S — CID 126203998

IUPACN-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide
SMILESCOc1ccc(-c2s/c(=N\C(=O)c3cccc(Cl)c3)n(C)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H21ClN2O3S/c1-28-22(16-7-11-20(30-2)12-8-16)23(17-9-13-21(31-3)14-10-17)32-25(28)27-24(29)18-5-4-6-19(26)15-18/h4-15H,1-3H3/b27-25-
InChIKeyOQOAVLOGOGVMMA-RFBIWTDZSA-N
MW464.97 g/mol
LogP5.83
Rot. Bonds5

About N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide

N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide (PubChem CID 126203998) has the molecular formula C25H21ClN2O3S and a molecular weight of 464.97 g/mol. Its IUPAC name is N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide
PubChem CID126203998
Molecular FormulaC25H21ClN2O3S
Molecular Weight464.97 g/mol
Exact Mass464.10
IUPAC NameN-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide
SMILESCOc1ccc(-c2s/c(=N\C(=O)c3cccc(Cl)c3)n(C)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H21ClN2O3S/c1-28-22(16-7-11-20(30-2)12-8-16)23(17-9-13-21(31-3)14-10-17)32-25(28)27-24(29)18-5-4-6-19(26)15-18/h4-15H,1-3H3/b27-25-
InChIKeyOQOAVLOGOGVMMA-RFBIWTDZSA-N
XLogP5.83
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-bromobenzamide
CID 126204701
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-4-fluorobenzamide
CID 126203694
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-bromo-4-methoxybenzamide
CID 126200149
2-chloro-N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-4-methylbenzamide
CID 126198964
3-methyl-N-(3-methyl-4,5-diphenyl-1,3-thiazol-2-ylidene)benzamide
CID 126212032
2,4-dichloro-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 126209248
N-[4-(4-fluorophenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 1021952
3,4-dimethoxy-N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]benzamide
CID 1021951
N-[4-(4-methoxyphenyl)-3,5-dimethyl-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 838621
5-chloro-N-[5-ethyl-4-(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 126205417
N-[4-(4-methoxyphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide
CID 126213225
N-[4-(3,4-dimethylphenyl)-3-methyl-5-phenyl-1,3-thiazol-2-ylidene]-3-fluorobenzamide
CID 126210567

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide?
The IUPAC name of N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide (CID 126203998) is N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide.
What is the SMILES notation for N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide?
The canonical SMILES for N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide is COc1ccc(-c2s/c(=N\C(=O)c3cccc(Cl)c3)n(C)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide?
The InChIKey is OQOAVLOGOGVMMA-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H21ClN2O3S/c1-28-22(16-7-11-20(30-2)12-8-16)23(17-9-13-21(31-3)14-10-17)32-25(28)27-24(29)18-5-4-6-19(26)15-18/h4-15H,1-3H3/b27-25-.
What are the key properties of N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide?
N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide has a molecular weight of 464.97 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(4-methoxyphenyl)-3-methyl-1,3-thiazol-2-ylidene]-3-chlorobenzamide is sourced from PubChem (CID 126203998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).