N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide

C22H24N2O3S — CID 7222799

IUPACN-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)c3cccc(C)c3)s2)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-14-6-5-7-16(12-14)21(25)23-11-10-20-15(2)24-22(28-20)17-8-9-18(26-3)19(13-17)27-4/h5-9,12-13H,10-11H2,1-4H3,(H,23,25)
InChIKeyJOIGNRYECHNANK-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.42
Rot. Bonds7

About N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide

N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide (PubChem CID 7222799) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide
PubChem CID7222799
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide
SMILESCOc1ccc(-c2nc(C)c(CCNC(=O)c3cccc(C)c3)s2)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-14-6-5-7-16(12-14)21(25)23-11-10-20-15(2)24-22(28-20)17-8-9-18(26-3)19(13-17)27-4/h5-9,12-13H,10-11H2,1-4H3,(H,23,25)
InChIKeyJOIGNRYECHNANK-UHFFFAOYSA-N
XLogP4.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide (CID 7222799) is N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide is COc1ccc(-c2nc(C)c(CCNC(=O)c3cccc(C)c3)s2)cc1OC.
What is the InChIKey of N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide?
The InChIKey is JOIGNRYECHNANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-14-6-5-7-16(12-14)21(25)23-11-10-20-15(2)24-22(28-20)17-8-9-18(26-3)19(13-17)27-4/h5-9,12-13H,10-11H2,1-4H3,(H,23,25).
What are the key properties of N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide?
N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide has a molecular weight of 396.51 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 7222799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).