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

C19H25N3O3S — CID 120557506

IUPAC2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NC3CCNCC3C)cs2)cc1OC
InChIInChI=1S/C19H25N3O3S/c1-12-10-20-7-6-15(12)22-18(23)9-14-11-26-19(21-14)13-4-5-16(24-2)17(8-13)25-3/h4-5,8,11-12,15,20H,6-7,9-10H2,1-3H3,(H,22,23)
InChIKeyFHEFYQDQEZMBDD-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.48
Rot. Bonds6

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

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide (PubChem CID 120557506) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
PubChem CID120557506
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide
SMILESCOc1ccc(-c2nc(CC(=O)NC3CCNCC3C)cs2)cc1OC
InChIInChI=1S/C19H25N3O3S/c1-12-10-20-7-6-15(12)22-18(23)9-14-11-26-19(21-14)13-4-5-16(24-2)17(8-13)25-3/h4-5,8,11-12,15,20H,6-7,9-10H2,1-3H3,(H,22,23)
InChIKeyFHEFYQDQEZMBDD-UHFFFAOYSA-N
XLogP2.48
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 40789617
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]acetamide
CID 4823194
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(4-hydroxycyclohexyl)acetamide
CID 78767639
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
CID 120555044
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-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-phenylacetic acid
CID 71949707
N-cyclopropyl-2-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]acetamide
CID 8909934

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide (CID 120557506) is 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide is COc1ccc(-c2nc(CC(=O)NC3CCNCC3C)cs2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
The InChIKey is FHEFYQDQEZMBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-12-10-20-7-6-15(12)22-18(23)9-14-11-26-19(21-14)13-4-5-16(24-2)17(8-13)25-3/h4-5,8,11-12,15,20H,6-7,9-10H2,1-3H3,(H,22,23).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide?
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylpiperidin-4-yl)acetamide has a molecular weight of 375.49 g/mol, XLogP of 2.48, 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-(3-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 120557506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).