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

C27H32N2O4S — CID 67395477

IUPACN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(O)CN(CC2CC2)C(=O)c2nc(C)sc2-c2cccc(C)c2C)cc1OC
InChIInChI=1S/C27H32N2O4S/c1-16-7-6-8-21(17(16)2)26-25(28-18(3)34-26)27(31)29(14-19-9-10-19)15-22(30)20-11-12-23(32-4)24(13-20)33-5/h6-8,11-13,19,22,30H,9-10,14-15H2,1-5H3
InChIKeyKCUJKWPNBVYIHF-UHFFFAOYSA-N
MW480.63 g/mol
LogP5.34
Rot. Bonds9

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

N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 67395477) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID67395477
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC NameN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(C(O)CN(CC2CC2)C(=O)c2nc(C)sc2-c2cccc(C)c2C)cc1OC
InChIInChI=1S/C27H32N2O4S/c1-16-7-6-8-21(17(16)2)26-25(28-18(3)34-26)27(31)29(14-19-9-10-19)15-22(30)20-11-12-23(32-4)24(13-20)33-5/h6-8,11-13,19,22,30H,9-10,14-15H2,1-5H3
InChIKeyKCUJKWPNBVYIHF-UHFFFAOYSA-N
XLogP5.34
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.63
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 87383761
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 67231015
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 67231165
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67394715
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-amino-2-oxoethyl)-N-(cyclopropylmethyl)-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 68723615
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(4-ethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67395293
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67394766
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-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67395767
N-(2-amino-2-oxoethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(3,4-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67394681

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 67395477) is N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide is COc1ccc(C(O)CN(CC2CC2)C(=O)c2nc(C)sc2-c2cccc(C)c2C)cc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is KCUJKWPNBVYIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-16-7-6-8-21(17(16)2)26-25(28-18(3)34-26)27(31)29(14-19-9-10-19)15-22(30)20-11-12-23(32-4)24(13-20)33-5/h6-8,11-13,19,22,30H,9-10,14-15H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 480.63 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-(2,3-dimethylphenyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67395477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).