N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide

C18H23N3OS — CID 119474665

IUPACN-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C18H23N3OS/c1-12-17(18(22)21-15-9-7-14(19)8-10-15)23-16(20-12)11-13-5-3-2-4-6-13/h2-6,14-15H,7-11,19H2,1H3,(H,21,22)
InChIKeyFKMDVOFUSOTHTH-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.04
Rot. Bonds4

About N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide

N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 119474665) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID119474665
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC NameN-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NC1CCC(N)CC1
InChIInChI=1S/C18H23N3OS/c1-12-17(18(22)21-15-9-7-14(19)8-10-15)23-16(20-12)11-13-5-3-2-4-6-13/h2-6,14-15H,7-11,19H2,1H3,(H,21,22)
InChIKeyFKMDVOFUSOTHTH-UHFFFAOYSA-N
XLogP3.04
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675305
2-benzyl-N-(1-benzylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 39084162
2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119424509
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119477613
cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678890
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 119477493
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559983
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
1-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 99781189
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
2-[acetyl(benzyl)amino]-N-cyclopropyl-4-methyl-1,3-thiazole-5-carboxamide
CID 51049231

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide (CID 119474665) is N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)NC1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is FKMDVOFUSOTHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-17(18(22)21-15-9-7-14(19)8-10-15)23-16(20-12)11-13-5-3-2-4-6-13/h2-6,14-15H,7-11,19H2,1H3,(H,21,22).
What are the key properties of N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 329.47 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119474665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).