N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide

C27H26N2O4S — CID 999954

IUPACN-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(C)c(C)c3)s2)cc(OC)c1OC
InChIInChI=1S/C27H26N2O4S/c1-16-11-12-19(13-17(16)2)25-23(18-9-7-6-8-10-18)28-27(34-25)29-26(30)20-14-21(31-3)24(33-5)22(15-20)32-4/h6-15H,1-5H3,(H,28,29,30)
InChIKeyFGLCELMWWSQVDC-UHFFFAOYSA-N
MW474.58 g/mol
LogP6.37
Rot. Bonds7

About N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide

N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide (PubChem CID 999954) has the molecular formula C27H26N2O4S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
PubChem CID999954
Molecular FormulaC27H26N2O4S
Molecular Weight474.58 g/mol
Exact Mass474.16
IUPAC NameN-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(C)c(C)c3)s2)cc(OC)c1OC
InChIInChI=1S/C27H26N2O4S/c1-16-11-12-19(13-17(16)2)25-23(18-9-7-6-8-10-18)28-27(34-25)29-26(30)20-14-21(31-3)24(33-5)22(15-20)32-4/h6-15H,1-5H3,(H,28,29,30)
InChIKeyFGLCELMWWSQVDC-UHFFFAOYSA-N
XLogP6.37
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.58
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 1207301
3,4,5-trimethoxy-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39041216
N-(4,5-diphenyl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 4107144
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethoxybenzamide
CID 3540513
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dimethylbenzamide
CID 5048055
4-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]benzamide
CID 2832302
methyl N-(4,5-diphenyl-1,3-thiazol-2-yl)carbamate
CID 1244319
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 18224890
3,4,5-trimethoxy-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 3378236
3,4,5-trimethoxy-N-[4-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45012563
3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4279938

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide (CID 999954) is N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(C)c(C)c3)s2)cc(OC)c1OC.
What is the InChIKey of N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is FGLCELMWWSQVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4S/c1-16-11-12-19(13-17(16)2)25-23(18-9-7-6-8-10-18)28-27(34-25)29-26(30)20-14-21(31-3)24(33-5)22(15-20)32-4/h6-15H,1-5H3,(H,28,29,30).
What are the key properties of N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide?
N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 474.58 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 999954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).