N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride

C10H19ClN2S — CID 141047250

IUPACN-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
SMILESC1CCC(CNC2=NCCS2)CC1.Cl
InChIInChI=1S/C10H18N2S.ClH/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10;/h9H,1-8H2,(H,11,12);1H
InChIKeyOZOKLDCVPLEYIY-UHFFFAOYSA-N
MW234.80 g/mol
LogP2.68
Rot. Bonds2

About N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride

N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride (PubChem CID 141047250) has the molecular formula C10H19ClN2S and a molecular weight of 234.80 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
PubChem CID141047250
Molecular FormulaC10H19ClN2S
Molecular Weight234.80 g/mol
Exact Mass234.10
IUPAC NameN-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
SMILESC1CCC(CNC2=NCCS2)CC1.Cl
InChIInChI=1S/C10H18N2S.ClH/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10;/h9H,1-8H2,(H,11,12);1H
InChIKeyOZOKLDCVPLEYIY-UHFFFAOYSA-N
XLogP2.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3792463
N1-(1,3-thiazolan-2-yliden)-3,3,5-trimethylcyclohexan-1-amine
CID 2731009
N-(5-methylheptyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3705369
N-(2-methylcyclohexyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 5018374
2-Thiazoline, 2-((cyclohexylmethyl)amino)-
CID 3055296
5-methyl-N-(2-methylcyclohexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2999911
N-(1-cyclohexyl-2,2,2-trifluoroethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 54087907
ethyl N,N'-bis(2-ethylhexyl)carbamimidothioate
CID 88749933
N-(2-ethylhexyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107817070
N-(1,2-dicyclohexylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 140539591
ethyl N-(2,6-dimethylcyclohexyl)-N'-methylcarbamimidothioate
CID 141539755
(5S)-5-methyl-N-[(1S,2S)-2-methylcyclohexyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2363377

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride (CID 141047250) is N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride is C1CCC(CNC2=NCCS2)CC1.Cl.
What is the InChIKey of N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is OZOKLDCVPLEYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S.ClH/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10;/h9H,1-8H2,(H,11,12);1H.
What are the key properties of N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride?
N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 234.80 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 141047250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).