[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine

C15H27N3S — CID 120841208

IUPAC[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(Cc2ncc(C(C)(C)C)s2)C1CN
InChIInChI=1S/C15H27N3S/c1-11-6-5-7-18(12(11)8-16)10-14-17-9-13(19-14)15(2,3)4/h9,11-12H,5-8,10,16H2,1-4H3
InChIKeyHYMWBHJIBHMWEA-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.00
Rot. Bonds3

About [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine

[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine (PubChem CID 120841208) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine
PubChem CID120841208
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(Cc2ncc(C(C)(C)C)s2)C1CN
InChIInChI=1S/C15H27N3S/c1-11-6-5-7-18(12(11)8-16)10-14-17-9-13(19-14)15(2,3)4/h9,11-12H,5-8,10,16H2,1-4H3
InChIKeyHYMWBHJIBHMWEA-UHFFFAOYSA-N
XLogP3.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine (CID 120841208) is [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine is CC1CCCN(Cc2ncc(C(C)(C)C)s2)C1CN.
What is the InChIKey of [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine?
The InChIKey is HYMWBHJIBHMWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11-6-5-7-18(12(11)8-16)10-14-17-9-13(19-14)15(2,3)4/h9,11-12H,5-8,10,16H2,1-4H3.
What are the key properties of [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine?
[1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine has a molecular weight of 281.47 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-tert-butyl-1,3-thiazol-2-yl)methyl]-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 120841208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).