[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride

C15H28ClN3S — CID 120841207

IUPAC[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2ncc(C(C)(C)C)s2)C1CN.Cl
InChIInChI=1S/C15H27N3S.ClH/c1-11-6-5-7-18(12(11)8-16)10-14-17-9-13(19-14)15(2,3)4;/h9,11-12H,5-8,10,16H2,1-4H3;1H
InChIKeyYWUDKMDXFFBNSE-UHFFFAOYSA-N
MW317.93 g/mol
LogP3.42
Rot. Bonds3

About [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride

[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride (PubChem CID 120841207) has the molecular formula C15H28ClN3S and a molecular weight of 317.93 g/mol. Its IUPAC name is [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
PubChem CID120841207
Molecular FormulaC15H28ClN3S
Molecular Weight317.93 g/mol
Exact Mass317.17
IUPAC Name[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
SMILESCC1CCCN(Cc2ncc(C(C)(C)C)s2)C1CN.Cl
InChIInChI=1S/C15H27N3S.ClH/c1-11-6-5-7-18(12(11)8-16)10-14-17-9-13(19-14)15(2,3)4;/h9,11-12H,5-8,10,16H2,1-4H3;1H
InChIKeyYWUDKMDXFFBNSE-UHFFFAOYSA-N
XLogP3.42
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.93
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 120841208
[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 83089715
[1-[(2,5-dimethylthiophen-3-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119926209
[3-methyl-1-[(6-methyl-3-pyridinyl)methyl]piperidin-2-yl]methanamine
CID 113457157
2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82424724
[1-[(3-bromothiophen-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119925979
2-[(2R,3S)-1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]ethanol
CID 125424127
[3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 115527232
[3-methyl-1-[(1-phenylimidazol-2-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120841155
[1-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 83089793
[1-[(2,5-difluorophenyl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride
CID 119925929
2-[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]propan-2-amine
CID 82191402

Frequently Asked Questions

What is the IUPAC name of [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The IUPAC name of [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride (CID 120841207) is [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride is CC1CCCN(Cc2ncc(C(C)(C)C)s2)C1CN.Cl.
What is the InChIKey of [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
The InChIKey is YWUDKMDXFFBNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S.ClH/c1-11-6-5-7-18(12(11)8-16)10-14-17-9-13(19-14)15(2,3)4;/h9,11-12H,5-8,10,16H2,1-4H3;1H.
What are the key properties of [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride?
[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride has a molecular weight of 317.93 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 120841207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).