5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

C13H24ClN3S — CID 120903532

IUPAC5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESC[C@@H](C1CCCCC1)N(C)Cc1cnc(N)s1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-10(11-6-4-3-5-7-11)16(2)9-12-8-15-13(14)17-12;/h8,10-11H,3-7,9H2,1-2H3,(H2,14,15);1H/t10-;/m0./s1
InChIKeyHFDIGIIVTPPZOV-PPHPATTJSA-N
MW289.88 g/mol
LogP3.55
Rot. Bonds4

About 5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120903532) has the molecular formula C13H24ClN3S and a molecular weight of 289.88 g/mol. Its IUPAC name is 5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120903532
Molecular FormulaC13H24ClN3S
Molecular Weight289.88 g/mol
Exact Mass289.14
IUPAC Name5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESC[C@@H](C1CCCCC1)N(C)Cc1cnc(N)s1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-10(11-6-4-3-5-7-11)16(2)9-12-8-15-13(14)17-12;/h8,10-11H,3-7,9H2,1-2H3,(H2,14,15);1H/t10-;/m0./s1
InChIKeyHFDIGIIVTPPZOV-PPHPATTJSA-N
XLogP3.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.88
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[cyclopropyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898694
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine
CID 79765083
5-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79771276
5-[[cyclopropyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898662
5-[[methyl(3-methylsulfonylbutan-2-yl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120900573
5-[[cyclohexylmethyl(propyl)amino]methyl]-1,3-thiazol-2-amine
CID 120899012
5-[[1-cyclopropylethyl-[(2,4-dimethoxyphenyl)methyl]amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904118
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
5-[(1-cyclopropylethylamino)methyl]-1,3-thiazol-2-amine
CID 118958251
(2S)-N-[(2-amino-1,3-thiazol-5-yl)methyl]-3-cyclohexyl-2-[[(2S)-2-(dimethylamino)propanoyl]amino]propanamide
CID 52918701
5-[[1-(2,6-difluorophenyl)ethyl-methylamino]methyl]-1,3-thiazol-2-amine
CID 120898349
N-[(2-amino-1,3-thiazol-5-yl)methyl]-N-methyl-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 120902202

Frequently Asked Questions

What is the IUPAC name of 5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120903532) is 5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is C[C@@H](C1CCCCC1)N(C)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is HFDIGIIVTPPZOV-PPHPATTJSA-N. The full InChI is InChI=1S/C13H23N3S.ClH/c1-10(11-6-4-3-5-7-11)16(2)9-12-8-15-13(14)17-12;/h8,10-11H,3-7,9H2,1-2H3,(H2,14,15);1H/t10-;/m0./s1.
What are the key properties of 5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 289.88 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(1S)-1-cyclohexylethyl]-methylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120903532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).