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

C27H32N2O3S — CID 67394712

IUPACN-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OC)c(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)c1
InChIInChI=1S/C27H32N2O3S/c1-17-6-9-22(14-18(17)2)26-25(28-19(3)33-26)27(30)29(16-20-7-8-20)13-12-21-15-23(31-4)10-11-24(21)32-5/h6,9-11,14-15,20H,7-8,12-13,16H2,1-5H3
InChIKeyGHDZSBMVXHHCDN-UHFFFAOYSA-N
MW464.63 g/mol
LogP5.85
Rot. Bonds9

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

N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 67394712) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID67394712
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC NameN-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(OC)c(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)c1
InChIInChI=1S/C27H32N2O3S/c1-17-6-9-22(14-18(17)2)26-25(28-19(3)33-26)27(30)29(16-20-7-8-20)13-12-21-15-23(31-4)10-11-24(21)32-5/h6,9-11,14-15,20H,7-8,12-13,16H2,1-5H3
InChIKeyGHDZSBMVXHHCDN-UHFFFAOYSA-N
XLogP5.85
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.63
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 67394712) is N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide is COc1ccc(OC)c(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is GHDZSBMVXHHCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-17-6-9-22(14-18(17)2)26-25(28-19(3)33-26)27(30)29(16-20-7-8-20)13-12-21-15-23(31-4)10-11-24(21)32-5/h6,9-11,14-15,20H,7-8,12-13,16H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 464.63 g/mol, XLogP of 5.85, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67394712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).