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

C27H32N2OS — CID 67394766

IUPACN-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C27H32N2OS/c1-17-6-10-23(20(4)14-17)12-13-29(16-22-8-9-22)27(30)25-26(31-21(5)28-25)24-11-7-18(2)19(3)15-24/h6-7,10-11,14-15,22H,8-9,12-13,16H2,1-5H3
InChIKeySCKZENDTRONSJU-UHFFFAOYSA-N
MW432.63 g/mol
LogP6.45
Rot. Bonds7

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

N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 67394766) has the molecular formula C27H32N2OS and a molecular weight of 432.63 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID67394766
Molecular FormulaC27H32N2OS
Molecular Weight432.63 g/mol
Exact Mass432.22
IUPAC NameN-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1ccc(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C27H32N2OS/c1-17-6-10-23(20(4)14-17)12-13-29(16-22-8-9-22)27(30)25-26(31-21(5)28-25)24-11-7-18(2)19(3)15-24/h6-7,10-11,14-15,22H,8-9,12-13,16H2,1-5H3
InChIKeySCKZENDTRONSJU-UHFFFAOYSA-N
XLogP6.45
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.63
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 67394766) is N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1ccc(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is SCKZENDTRONSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2OS/c1-17-6-10-23(20(4)14-17)12-13-29(16-22-8-9-22)27(30)25-26(31-21(5)28-25)24-11-7-18(2)19(3)15-24/h6-7,10-11,14-15,22H,8-9,12-13,16H2,1-5H3.
What are the key properties of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 432.63 g/mol, XLogP of 6.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67394766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).