[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C14H25N3S — CID 79392675

IUPAC[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC1CCC(C)N(c2nc(C(C)C)c(CN)s2)C1
InChIInChI=1S/C14H25N3S/c1-9(2)13-12(7-15)18-14(16-13)17-8-10(3)5-6-11(17)4/h9-11H,5-8,15H2,1-4H3
InChIKeyUUOOIGKVQNAEGP-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.35
Rot. Bonds3

About [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 79392675) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID79392675
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC1CCC(C)N(c2nc(C(C)C)c(CN)s2)C1
InChIInChI=1S/C14H25N3S/c1-9(2)13-12(7-15)18-14(16-13)17-8-10(3)5-6-11(17)4/h9-11H,5-8,15H2,1-4H3
InChIKeyUUOOIGKVQNAEGP-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 79392675) is [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CC1CCC(C)N(c2nc(C(C)C)c(CN)s2)C1.
What is the InChIKey of [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is UUOOIGKVQNAEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-9(2)13-12(7-15)18-14(16-13)17-8-10(3)5-6-11(17)4/h9-11H,5-8,15H2,1-4H3.
What are the key properties of [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 267.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 79392675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).