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

C19H24N2O4S — CID 78767639

IUPAC2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NC3CCC(O)CC3)cs2)cc1OC
InChIInChI=1S/C19H24N2O4S/c1-24-16-8-3-12(9-17(16)25-2)19-21-14(11-26-19)10-18(23)20-13-4-6-15(22)7-5-13/h3,8-9,11,13,15,22H,4-7,10H2,1-2H3,(H,20,23)
InChIKeyTXENXZQPSHVMOC-UHFFFAOYSA-N
MW376.48 g/mol
LogP2.79
Rot. Bonds6

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

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide (PubChem CID 78767639) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
PubChem CID78767639
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NC3CCC(O)CC3)cs2)cc1OC
InChIInChI=1S/C19H24N2O4S/c1-24-16-8-3-12(9-17(16)25-2)19-21-14(11-26-19)10-18(23)20-13-4-6-15(22)7-5-13/h3,8-9,11,13,15,22H,4-7,10H2,1-2H3,(H,20,23)
InChIKeyTXENXZQPSHVMOC-UHFFFAOYSA-N
XLogP2.79
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 56569123
N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8909934
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
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 40789617
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-methyl-1,3-thiazol-2-yl)acetamide
CID 8001192
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 24505903
N-cyclohexyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]propanamide
CID 60542126

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide (CID 78767639) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide is COc1ccc(-c2nc(CC(=O)NC3CCC(O)CC3)cs2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide?
The InChIKey is TXENXZQPSHVMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-24-16-8-3-12(9-17(16)25-2)19-21-14(11-26-19)10-18(23)20-13-4-6-15(22)7-5-13/h3,8-9,11,13,15,22H,4-7,10H2,1-2H3,(H,20,23).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide?
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide has a molecular weight of 376.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 78767639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).