3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine

C14H25N3S — CID 115091025

IUPAC3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
SMILESCCN1CCCCC1Cc1ncc(CCCN)s1
InChIInChI=1S/C14H25N3S/c1-2-17-9-4-3-6-12(17)10-14-16-11-13(18-14)7-5-8-15/h11-12H,2-10,15H2,1H3
InChIKeyYGJWGYSBXBQSJF-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.45
Rot. Bonds6

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

3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 115091025) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
PubChem CID115091025
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
SMILESCCN1CCCCC1Cc1ncc(CCCN)s1
InChIInChI=1S/C14H25N3S/c1-2-17-9-4-3-6-12(17)10-14-16-11-13(18-14)7-5-8-15/h11-12H,2-10,15H2,1H3
InChIKeyYGJWGYSBXBQSJF-UHFFFAOYSA-N
XLogP2.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091040
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 115090123
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 115090768
3-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]propan-1-amine
CID 115091179
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086180
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088807
3-[2-(oxan-2-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 115035808
3-(1-ethylpyrrolidin-2-yl)propan-1-amine
CID 63763897
2-(2-ethyl-1,3-thiazol-5-yl)ethanamine
CID 83682105
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]-N-methylpropan-1-amine
CID 115086252
2-[2-(1-ethylpiperidin-4-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089977
[2-(2-ethylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 104692480

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine (CID 115091025) is 3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine is CCN1CCCCC1Cc1ncc(CCCN)s1.
What is the InChIKey of 3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is YGJWGYSBXBQSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-2-17-9-4-3-6-12(17)10-14-16-11-13(18-14)7-5-8-15/h11-12H,2-10,15H2,1H3.
What are the key properties of 3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine?
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 115091025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).