N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride

C12H22ClN3S — CID 57394134

IUPACN-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1(C)CCCN(CCNc2nccs2)C1.Cl
InChIInChI=1S/C12H21N3S.ClH/c1-12(2)4-3-7-15(10-12)8-5-13-11-14-6-9-16-11;/h6,9H,3-5,7-8,10H2,1-2H3,(H,13,14);1H
InChIKeyFCGUONPZLCJUDI-UHFFFAOYSA-N
MW275.85 g/mol
LogP3.10
Rot. Bonds4

About N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride

N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 57394134) has the molecular formula C12H22ClN3S and a molecular weight of 275.85 g/mol. Its IUPAC name is N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID57394134
Molecular FormulaC12H22ClN3S
Molecular Weight275.85 g/mol
Exact Mass275.12
IUPAC NameN-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC1(C)CCCN(CCNc2nccs2)C1.Cl
InChIInChI=1S/C12H21N3S.ClH/c1-12(2)4-3-7-15(10-12)8-5-13-11-14-6-9-16-11;/h6,9H,3-5,7-8,10H2,1-2H3,(H,13,14);1H
InChIKeyFCGUONPZLCJUDI-UHFFFAOYSA-N
XLogP3.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride (CID 57394134) is N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride is CC1(C)CCCN(CCNc2nccs2)C1.Cl.
What is the InChIKey of N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is FCGUONPZLCJUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S.ClH/c1-12(2)4-3-7-15(10-12)8-5-13-11-14-6-9-16-11;/h6,9H,3-5,7-8,10H2,1-2H3,(H,13,14);1H.
What are the key properties of N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride?
N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 275.85 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 57394134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).