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

C26H30N2O3S — CID 45376543

IUPACN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2cccc(C)c2)cc1OC
InChIInChI=1S/C26H30N2O3S/c1-17-6-5-7-21(14-17)25-24(27-18(2)32-25)26(29)28(16-20-8-9-20)13-12-19-10-11-22(30-3)23(15-19)31-4/h5-7,10-11,14-15,20H,8-9,12-13,16H2,1-4H3
InChIKeyBEHBYUMWRGKESA-UHFFFAOYSA-N
MW450.60 g/mol
LogP5.54
Rot. Bonds9

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

N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 45376543) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID45376543
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC NameN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2cccc(C)c2)cc1OC
InChIInChI=1S/C26H30N2O3S/c1-17-6-5-7-21(14-17)25-24(27-18(2)32-25)26(29)28(16-20-8-9-20)13-12-19-10-11-22(30-3)23(15-19)31-4/h5-7,10-11,14-15,20H,8-9,12-13,16H2,1-4H3
InChIKeyBEHBYUMWRGKESA-UHFFFAOYSA-N
XLogP5.54
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.60
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-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-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide (CID 45376543) is N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide is COc1ccc(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2cccc(C)c2)cc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BEHBYUMWRGKESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-17-6-5-7-21(14-17)25-24(27-18(2)32-25)26(29)28(16-20-8-9-20)13-12-19-10-11-22(30-3)23(15-19)31-4/h5-7,10-11,14-15,20H,8-9,12-13,16H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 450.60 g/mol, XLogP of 5.54, 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-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 45376543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).