3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

C14H25N3S — CID 120781510

IUPAC3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCC(C)c1cnc(CN2CCC(N)C(C)(C)C2)s1
InChIInChI=1S/C14H25N3S/c1-10(2)11-7-16-13(18-11)8-17-6-5-12(15)14(3,4)9-17/h7,10,12H,5-6,8-9,15H2,1-4H3
InChIKeyXUDHPCHBJXFPGC-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.83
Rot. Bonds3

About 3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine

3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (PubChem CID 120781510) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
PubChem CID120781510
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
SMILESCC(C)c1cnc(CN2CCC(N)C(C)(C)C2)s1
InChIInChI=1S/C14H25N3S/c1-10(2)11-7-16-13(18-11)8-17-6-5-12(15)14(3,4)9-17/h7,10,12H,5-6,8-9,15H2,1-4H3
InChIKeyXUDHPCHBJXFPGC-UHFFFAOYSA-N
XLogP2.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.83
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
1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-ol
CID 104517036
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587
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
3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 120782277
3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847090
3,3-dimethyl-1-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-amine
CID 120781752
3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120781863
5-N-[1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]azepan-4-yl]pyridine-2,5-diamine;hydrochloride
CID 129001228

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine (CID 120781510) is 3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is CC(C)c1cnc(CN2CCC(N)C(C)(C)C2)s1.
What is the InChIKey of 3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
The InChIKey is XUDHPCHBJXFPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)11-7-16-13(18-11)8-17-6-5-12(15)14(3,4)9-17/h7,10,12H,5-6,8-9,15H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine?
3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine has a molecular weight of 267.44 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 120781510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).