N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide

C22H24N2OS — CID 112837365

IUPACN,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)N(C)CCCCc2ccccc2)s1
InChIInChI=1S/C22H24N2OS/c1-17-23-20(19-14-7-4-8-15-19)21(26-17)22(25)24(2)16-10-9-13-18-11-5-3-6-12-18/h3-8,11-12,14-15H,9-10,13,16H2,1-2H3
InChIKeyWKMNDLFDBYEKBE-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.21
Rot. Bonds7

About N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide

N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide (PubChem CID 112837365) has the molecular formula C22H24N2OS and a molecular weight of 364.51 g/mol. Its IUPAC name is N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide
PubChem CID112837365
Molecular FormulaC22H24N2OS
Molecular Weight364.51 g/mol
Exact Mass364.16
IUPAC NameN,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)N(C)CCCCc2ccccc2)s1
InChIInChI=1S/C22H24N2OS/c1-17-23-20(19-14-7-4-8-15-19)21(26-17)22(25)24(2)16-10-9-13-18-11-5-3-6-12-18/h3-8,11-12,14-15H,9-10,13,16H2,1-2H3
InChIKeyWKMNDLFDBYEKBE-UHFFFAOYSA-N
XLogP5.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide (CID 112837365) is N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)N(C)CCCCc2ccccc2)s1.
What is the InChIKey of N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is WKMNDLFDBYEKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS/c1-17-23-20(19-14-7-4-8-15-19)21(26-17)22(25)24(2)16-10-9-13-18-11-5-3-6-12-18/h3-8,11-12,14-15H,9-10,13,16H2,1-2H3.
What are the key properties of N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide?
N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 364.51 g/mol, XLogP of 5.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-phenyl-N-(4-phenylbutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 112837365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).