[4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride

C10H17ClN2S — CID 158523431

IUPAC[4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride
SMILESCl.NCC1CCC(c2nccs2)CC1
InChIInChI=1S/C10H16N2S.ClH/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10;/h5-6,8-9H,1-4,7,11H2;1H
InChIKeyYAPGTUMSLTUPND-UHFFFAOYSA-N
MW232.78 g/mol
LogP2.80
Rot. Bonds2

About [4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride

[4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride (PubChem CID 158523431) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is [4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride
PubChem CID158523431
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC Name[4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride
SMILESCl.NCC1CCC(c2nccs2)CC1
InChIInChI=1S/C10H16N2S.ClH/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10;/h5-6,8-9H,1-4,7,11H2;1H
InChIKeyYAPGTUMSLTUPND-UHFFFAOYSA-N
XLogP2.80
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1,3-thiazol-2-ylmethylamino)methyl]cyclohexyl]methanamine
CID 79533036
2-(1-methanidylpiperidin-4-yl)-1,3-thiazole;tungsten
CID 59496771
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120799663
2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
[6-(1,3-thiazol-2-yl)oxan-2-yl]methanamine
CID 130583812
8-(1,3-thiazol-2-yl)spiro[4.5]decane-1,4-dione
CID 150389360
2-[1-(trideuteriomethyl)piperidin-4-yl]-1,3-thiazole
CID 170533293
(4-pyridin-2-ylcyclohexyl)methanamine
CID 82281318
(2R)-2-amino-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 119873347
3-[4-(1,3-thiazol-2-yl)piperidin-1-yl]aniline
CID 170777895
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
[4-(1,3-oxazol-2-yl)cyclohexyl]methanamine
CID 82408869

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride?
The IUPAC name of [4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride (CID 158523431) is [4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride.
What is the SMILES notation for [4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride?
The canonical SMILES for [4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride is Cl.NCC1CCC(c2nccs2)CC1.
What is the InChIKey of [4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride?
The InChIKey is YAPGTUMSLTUPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S.ClH/c11-7-8-1-3-9(4-2-8)10-12-5-6-13-10;/h5-6,8-9H,1-4,7,11H2;1H.
What are the key properties of [4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride?
[4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride has a molecular weight of 232.78 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-thiazol-2-yl)cyclohexyl]methanamine;hydrochloride is sourced from PubChem (CID 158523431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).