2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide

C20H26N2OS — CID 55668344

IUPAC2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N(C)C1CCCCCC1
InChIInChI=1S/C20H26N2OS/c1-15-19(20(23)22(2)17-12-8-3-4-9-13-17)24-18(21-15)14-16-10-6-5-7-11-16/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3
InChIKeyRXYICQWKPBDINM-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.84
Rot. Bonds4

About 2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide

2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 55668344) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID55668344
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)N(C)C1CCCCCC1
InChIInChI=1S/C20H26N2OS/c1-15-19(20(23)22(2)17-12-8-3-4-9-13-17)24-18(21-15)14-16-10-6-5-7-11-16/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3
InChIKeyRXYICQWKPBDINM-UHFFFAOYSA-N
XLogP4.84
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclooctyl-N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 71934858
N-(cyclohexylmethyl)-2-[(4-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55650978
(2S)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 99639883
2-benzyl-N-cyclopropyl-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 55919915
N-(2-aminoethyl)-2-benzyl-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 120884822
2-amino-N-cyclopentyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 62794073
(3R)-1-(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124695692
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45183595
2-benzyl-N-[3-(dimethylamino)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 35534310
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559983
N,2-dibenzyl-4-methyl-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 55669656

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 55668344) is 2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)N(C)C1CCCCCC1.
What is the InChIKey of 2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is RXYICQWKPBDINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-15-19(20(23)22(2)17-12-8-3-4-9-13-17)24-18(21-15)14-16-10-6-5-7-11-16/h5-7,10-11,17H,3-4,8-9,12-14H2,1-2H3.
What are the key properties of 2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide?
2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 342.51 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55668344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).