2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

C20H26N2O3S — CID 40789617

IUPAC2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)N[C@H]3CCCC[C@@H]3C)cs2)cc1OC
InChIInChI=1S/C20H26N2O3S/c1-13-6-4-5-7-16(13)22-19(23)11-15-12-26-20(21-15)14-8-9-17(24-2)18(10-14)25-3/h8-10,12-13,16H,4-7,11H2,1-3H3,(H,22,23)/t13-,16-/m0/s1
InChIKeyDPFCIMCGKBQHKW-BBRMVZONSA-N
MW374.51 g/mol
LogP4.06
Rot. Bonds6

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

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (PubChem CID 40789617) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
PubChem CID40789617
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESCOc1ccc(-c2nc(CC(=O)N[C@H]3CCCC[C@@H]3C)cs2)cc1OC
InChIInChI=1S/C20H26N2O3S/c1-13-6-4-5-7-16(13)22-19(23)11-15-12-26-20(21-15)14-8-9-17(24-2)18(10-14)25-3/h8-10,12-13,16H,4-7,11H2,1-3H3,(H,22,23)/t13-,16-/m0/s1
InChIKeyDPFCIMCGKBQHKW-BBRMVZONSA-N
XLogP4.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
CID 120557506
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120557505
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 78767639
N-(2-methylcyclohexyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46516478
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide
CID 120601835
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120601834
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 51148007
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 56569123
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-methylcyclohexyl)acetamide
CID 46578282

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (CID 40789617) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is COc1ccc(-c2nc(CC(=O)N[C@H]3CCCC[C@@H]3C)cs2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is DPFCIMCGKBQHKW-BBRMVZONSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-13-6-4-5-7-16(13)22-19(23)11-15-12-26-20(21-15)14-8-9-17(24-2)18(10-14)25-3/h8-10,12-13,16H,4-7,11H2,1-3H3,(H,22,23)/t13-,16-/m0/s1.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 374.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 40789617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).