N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

C12H23ClN2OS — CID 119327543

IUPACN-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC1CC(C)CC(NC(=O)C2CSCN2)C1.Cl
InChIInChI=1S/C12H22N2OS.ClH/c1-8-3-9(2)5-10(4-8)14-12(15)11-6-16-7-13-11;/h8-11,13H,3-7H2,1-2H3,(H,14,15);1H
InChIKeyOOLGZLFQFRQZHK-UHFFFAOYSA-N
MW278.85 g/mol
LogP2.01
Rot. Bonds2

About N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride

N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (PubChem CID 119327543) has the molecular formula C12H23ClN2OS and a molecular weight of 278.85 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
PubChem CID119327543
Molecular FormulaC12H23ClN2OS
Molecular Weight278.85 g/mol
Exact Mass278.12
IUPAC NameN-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
SMILESCC1CC(C)CC(NC(=O)C2CSCN2)C1.Cl
InChIInChI=1S/C12H22N2OS.ClH/c1-8-3-9(2)5-10(4-8)14-12(15)11-6-16-7-13-11;/h8-11,13H,3-7H2,1-2H3,(H,14,15);1H
InChIKeyOOLGZLFQFRQZHK-UHFFFAOYSA-N
XLogP2.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.85
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-(2,2,3,3-tetramethylcyclopropyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119343824
(2S)-N-(3,5-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 64733303
(2R)-N-(3,5-dimethylcyclohexyl)piperidine-2-carboxamide
CID 103811701
N-(2-methylcyclobutyl)-1,3-thiazolidine-4-carboxamide
CID 126981481
N-(3,3-dimethylcyclopentyl)-1,3-thiazolidine-4-carboxamide
CID 114546365
(4S)-N-(1-methyl-5-oxopyrrolidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119308806
(4S)-N-(2-methylcyclopentyl)-1,3-thiazolidine-4-carboxamide
CID 119319795
N-(2-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide
CID 24704493
(4S)-N-propan-2-yl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 130718908
N-tert-butyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 47003078
N-(1-methyl-6-oxopiperidin-3-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119324352
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride (CID 119327543) is N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is CC1CC(C)CC(NC(=O)C2CSCN2)C1.Cl.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
The InChIKey is OOLGZLFQFRQZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS.ClH/c1-8-3-9(2)5-10(4-8)14-12(15)11-6-16-7-13-11;/h8-11,13H,3-7H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride?
N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride has a molecular weight of 278.85 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-1,3-thiazolidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119327543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).