2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide

C19H26N2O3S — CID 47721692

IUPAC2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2cnc(C(C)(C)C)s2)cc1OC
InChIInChI=1S/C19H26N2O3S/c1-19(2,3)18-20-12-16(25-18)17(22)21(4)10-9-13-7-8-14(23-5)15(11-13)24-6/h7-8,11-12H,9-10H2,1-6H3
InChIKeyIHODFLKMMAZOCG-UHFFFAOYSA-N
MW362.50 g/mol
LogP3.77
Rot. Bonds6

About 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47721692) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID47721692
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)c2cnc(C(C)(C)C)s2)cc1OC
InChIInChI=1S/C19H26N2O3S/c1-19(2,3)18-20-12-16(25-18)17(22)21(4)10-9-13-7-8-14(23-5)15(11-13)24-6/h7-8,11-12H,9-10H2,1-6H3
InChIKeyIHODFLKMMAZOCG-UHFFFAOYSA-N
XLogP3.77
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide 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

1-[2-(3-tert-butyl-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168613
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 69472007
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,2-dimethylpropanoylamino)-N,3-dimethylbutanamide
CID 42706026
N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethyl-2-phenyltriazole-4-carboxamide
CID 26739400
methyl N-[1-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 163728609
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 42695653
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
CID 9468502
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 26587111
(2R)-2-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpropanamide
CID 770468
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(dimethylsulfamoyl)ethyl]-1-methylurea
CID 122560234
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 8001354
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 47721692) is 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide is COc1ccc(CCN(C)C(=O)c2cnc(C(C)(C)C)s2)cc1OC.
What is the InChIKey of 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IHODFLKMMAZOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c1-19(2,3)18-20-12-16(25-18)17(22)21(4)10-9-13-7-8-14(23-5)15(11-13)24-6/h7-8,11-12H,9-10H2,1-6H3.
What are the key properties of 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47721692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).