3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

C11H19N3S — CID 120781587

IUPAC3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCC1(C)CN(Cc2nccs2)CCC1N
InChIInChI=1S/C11H19N3S/c1-11(2)8-14(5-3-9(11)12)7-10-13-4-6-15-10/h4,6,9H,3,5,7-8,12H2,1-2H3
InChIKeyNMGQCSQBVKSWJI-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.70
Rot. Bonds2

About 3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine

3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (PubChem CID 120781587) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
PubChem CID120781587
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
SMILESCC1(C)CN(Cc2nccs2)CCC1N
InChIInChI=1S/C11H19N3S/c1-11(2)8-14(5-3-9(11)12)7-10-13-4-6-15-10/h4,6,9H,3,5,7-8,12H2,1-2H3
InChIKeyNMGQCSQBVKSWJI-UHFFFAOYSA-N
XLogP1.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781982
N,N-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 141061386
3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120781863
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 120782277
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847183
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 120782171
1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847090
1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
N-propan-2-yl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 115752802
3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
CID 120781546

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine (CID 120781587) is 3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is CC1(C)CN(Cc2nccs2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
The InChIKey is NMGQCSQBVKSWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(2)8-14(5-3-9(11)12)7-10-13-4-6-15-10/h4,6,9H,3,5,7-8,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine?
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine has a molecular weight of 225.36 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 120781587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).