3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine

C11H19N3S — CID 120782277

IUPAC3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
SMILESCC1(C)CN(Cc2cncs2)CCC1N
InChIInChI=1S/C11H19N3S/c1-11(2)7-14(4-3-10(11)12)6-9-5-13-8-15-9/h5,8,10H,3-4,6-7,12H2,1-2H3
InChIKeyXERZSOQQDFQBNY-UHFFFAOYSA-N
MW225.36 g/mol
LogP1.70
Rot. Bonds2

About 3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine

3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine (PubChem CID 120782277) 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-5-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
PubChem CID120782277
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
SMILESCC1(C)CN(Cc2cncs2)CCC1N
InChIInChI=1S/C11H19N3S/c1-11(2)7-14(4-3-10(11)12)6-9-5-13-8-15-9/h5,8,10H,3-4,6-7,12H2,1-2H3
InChIKeyXERZSOQQDFQBNY-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

N,N-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 141415838
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 120782171
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781982
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587
3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158
5-[(3-cyclopropyl-3-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 112644972
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
1-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 112641611
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
1-[(4,5-dichlorothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120847183
3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 120781510

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine (CID 120782277) is 3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine is CC1(C)CN(Cc2cncs2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine?
The InChIKey is XERZSOQQDFQBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(2)7-14(4-3-10(11)12)6-9-5-13-8-15-9/h5,8,10H,3-4,6-7,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine?
3,3-dimethyl-1-(1,3-thiazol-5-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-5-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 120782277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).