3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide

C21H22N2O3S — CID 7502958

IUPAC3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2sc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C21H22N2O3S/c1-14-19(27-21(23-14)15-7-5-4-6-8-15)9-10-22-20(24)16-11-17(25-2)13-18(12-16)26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)
InChIKeyOMUQBMYCJQAXRW-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.11
Rot. Bonds7

About 3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide

3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide (PubChem CID 7502958) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
PubChem CID7502958
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Name3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2sc(-c3ccccc3)nc2C)c1
InChIInChI=1S/C21H22N2O3S/c1-14-19(27-21(23-14)15-7-5-4-6-8-15)9-10-22-20(24)16-11-17(25-2)13-18(12-16)26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,24)
InChIKeyOMUQBMYCJQAXRW-UHFFFAOYSA-N
XLogP4.11
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3,5-dimethylbenzamide
CID 7503000
3,4-difluoro-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222751
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110395233
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methoxybenzamide
CID 7222729
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 7517999
3,4-dimethyl-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7502972
3-chloro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7207716
4-chloro-N-[2-[4-methyl-2-(3-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzamide
CID 7222771
N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-fluorobenzamide
CID 7503013
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 110395353
N'-(3,5-dimethylphenyl)-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]oxamide
CID 7222822
N'-(3,5-dimethylphenyl)-N-[2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]oxamide
CID 7222985

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide (CID 7502958) is 3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCc2sc(-c3ccccc3)nc2C)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
The InChIKey is OMUQBMYCJQAXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-14-19(27-21(23-14)15-7-5-4-6-8-15)9-10-22-20(24)16-11-17(25-2)13-18(12-16)26-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,24).
What are the key properties of 3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide?
3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide has a molecular weight of 382.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 7502958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).