[4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine

C15H27N3OS — CID 102968522

IUPAC[4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC(C)c1nc(N2CCC(C)C(OC)C2)sc1CN
InChIInChI=1S/C15H27N3OS/c1-5-10(2)14-13(8-16)20-15(17-14)18-7-6-11(3)12(9-18)19-4/h10-12H,5-9,16H2,1-4H3
InChIKeyBRNKXWFABWKWQQ-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.98
Rot. Bonds5

About [4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine

[4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 102968522) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is [4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID102968522
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name[4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC(C)c1nc(N2CCC(C)C(OC)C2)sc1CN
InChIInChI=1S/C15H27N3OS/c1-5-10(2)14-13(8-16)20-15(17-14)18-7-6-11(3)12(9-18)19-4/h10-12H,5-9,16H2,1-4H3
InChIKeyBRNKXWFABWKWQQ-UHFFFAOYSA-N
XLogP2.98
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 102968522) is [4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is CCC(C)c1nc(N2CCC(C)C(OC)C2)sc1CN.
What is the InChIKey of [4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is BRNKXWFABWKWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-5-10(2)14-13(8-16)20-15(17-14)18-7-6-11(3)12(9-18)19-4/h10-12H,5-9,16H2,1-4H3.
What are the key properties of [4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 297.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-butan-2-yl-2-(3-methoxy-4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 102968522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).