1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine

C16H29N3S — CID 82435460

IUPAC1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
SMILESCC1CCCN(CCc2nc(C(C)C)c(C(C)N)s2)C1
InChIInChI=1S/C16H29N3S/c1-11(2)15-16(13(4)17)20-14(18-15)7-9-19-8-5-6-12(3)10-19/h11-13H,5-10,17H2,1-4H3
InChIKeyZGLGVQAKWGPQSJ-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.56
Rot. Bonds5

About 1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine

1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine (PubChem CID 82435460) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
PubChem CID82435460
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine
SMILESCC1CCCN(CCc2nc(C(C)C)c(C(C)N)s2)C1
InChIInChI=1S/C16H29N3S/c1-11(2)15-16(13(4)17)20-14(18-15)7-9-19-8-5-6-12(3)10-19/h11-13H,5-10,17H2,1-4H3
InChIKeyZGLGVQAKWGPQSJ-UHFFFAOYSA-N
XLogP3.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine (CID 82435460) is 1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine is CC1CCCN(CCc2nc(C(C)C)c(C(C)N)s2)C1.
What is the InChIKey of 1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is ZGLGVQAKWGPQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-11(2)15-16(13(4)17)20-14(18-15)7-9-19-8-5-6-12(3)10-19/h11-13H,5-10,17H2,1-4H3.
What are the key properties of 1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine?
1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 295.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methylpiperidin-1-yl)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82435460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).