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

C27H32N2O2S — CID 67394715

IUPACN-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C27H32N2O2S/c1-17-6-10-23(15-18(17)2)26-25(28-20(4)32-26)27(30)29(16-22-7-8-22)13-12-21-9-11-24(31-5)19(3)14-21/h6,9-11,14-15,22H,7-8,12-13,16H2,1-5H3
InChIKeyCCOCJUWMGWNHSB-UHFFFAOYSA-N
MW448.63 g/mol
LogP6.15
Rot. Bonds8

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

N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 67394715) has the molecular formula C27H32N2O2S and a molecular weight of 448.63 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID67394715
Molecular FormulaC27H32N2O2S
Molecular Weight448.63 g/mol
Exact Mass448.22
IUPAC NameN-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C27H32N2O2S/c1-17-6-10-23(15-18(17)2)26-25(28-20(4)32-26)27(30)29(16-22-7-8-22)13-12-21-9-11-24(31-5)19(3)14-21/h6,9-11,14-15,22H,7-8,12-13,16H2,1-5H3
InChIKeyCCOCJUWMGWNHSB-UHFFFAOYSA-N
XLogP6.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.63
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-ethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67395293
N-(cyclopropylmethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67394712
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-iodo-2,5-dimethoxyphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67231765
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-N-ethyl-2-methyl-1,3-thiazole-4-carboxamide
CID 67232298
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67394766
N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67394681
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67395767
N-(cyclopropylmethyl)-2-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine;5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxylic acid
CID 162621441
2-amino-N-(cyclopropylmethyl)-5-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 87317957
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-oxoethyl]-5-(3-fluorophenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 140567601
2-amino-N-(cyclopropylmethyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 87317802
N-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 68723615

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 67394715) is N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is COc1ccc(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)cc1C.
What is the InChIKey of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is CCOCJUWMGWNHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O2S/c1-17-6-10-23(15-18(17)2)26-25(28-20(4)32-26)27(30)29(16-22-7-8-22)13-12-21-9-11-24(31-5)19(3)14-21/h6,9-11,14-15,22H,7-8,12-13,16H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 448.63 g/mol, XLogP of 6.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67394715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).