N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide

C20H19ClN2O3S — CID 7900431

IUPACN-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)cc1OC
InChIInChI=1S/C20H19ClN2O3S/c1-12-4-6-14(9-16(12)21)22-19(24)10-15-11-27-20(23-15)13-5-7-17(25-2)18(8-13)26-3/h4-9,11H,10H2,1-3H3,(H,22,24)
InChIKeySGZHFIGVYQIXCM-UHFFFAOYSA-N
MW402.90 g/mol
LogP4.97
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 7900431) has the molecular formula C20H19ClN2O3S and a molecular weight of 402.90 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID7900431
Molecular FormulaC20H19ClN2O3S
Molecular Weight402.90 g/mol
Exact Mass402.08
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)cc1OC
InChIInChI=1S/C20H19ClN2O3S/c1-12-4-6-14(9-16(12)21)22-19(24)10-15-11-27-20(23-15)13-5-7-17(25-2)18(8-13)26-3/h4-9,11H,10H2,1-3H3,(H,22,24)
InChIKeySGZHFIGVYQIXCM-UHFFFAOYSA-N
XLogP4.97
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-chloro-4-(methanesulfonamido)phenyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585029
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 4823927
N-(1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 7944782
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 46585965
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 46807153
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55407689
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-nitrophenyl)acetamide
CID 51180014
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 55450669
2-chloro-4-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 39170378
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894
N-(3-chloro-4-methylphenyl)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 26688026

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide (CID 7900431) is N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide is COc1ccc(-c2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)cc1OC.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is SGZHFIGVYQIXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3S/c1-12-4-6-14(9-16(12)21)22-19(24)10-15-11-27-20(23-15)13-5-7-17(25-2)18(8-13)26-3/h4-9,11H,10H2,1-3H3,(H,22,24).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 402.90 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 7900431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).