5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C13H24ClN3S — CID 120903964

IUPAC5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1(C)CN(Cc2cnc(N)s2)CC(C)(C)C1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-12(2)7-13(3,4)9-16(8-12)6-10-5-15-11(14)17-10;/h5H,6-9H2,1-4H3,(H2,14,15);1H
InChIKeyRRGJSEANJRNYGB-UHFFFAOYSA-N
MW289.88 g/mol
LogP3.41
Rot. Bonds2

About 5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120903964) has the molecular formula C13H24ClN3S and a molecular weight of 289.88 g/mol. Its IUPAC name is 5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120903964
Molecular FormulaC13H24ClN3S
Molecular Weight289.88 g/mol
Exact Mass289.14
IUPAC Name5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1(C)CN(Cc2cnc(N)s2)CC(C)(C)C1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-12(2)7-13(3,4)9-16(8-12)6-10-5-15-11(14)17-10;/h5H,6-9H2,1-4H3,(H2,14,15);1H
InChIKeyRRGJSEANJRNYGB-UHFFFAOYSA-N
XLogP3.41
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.88
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4,4-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903163
5-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899612
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[(3,3-difluoro-4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903924
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-(6-azaspiro[3.5]nonan-6-ylmethyl)-1,3-thiazol-2-amine
CID 120903504
5-[(2,2-diethylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120905195
5-[[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902344
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 115882742
5-[(2,2,4-trimethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120900644
5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899501

Frequently Asked Questions

What is the IUPAC name of 5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120903964) is 5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is CC1(C)CN(Cc2cnc(N)s2)CC(C)(C)C1.Cl.
What is the InChIKey of 5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is RRGJSEANJRNYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S.ClH/c1-12(2)7-13(3,4)9-16(8-12)6-10-5-15-11(14)17-10;/h5H,6-9H2,1-4H3,(H2,14,15);1H.
What are the key properties of 5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 289.88 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3,5,5-tetramethylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120903964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).