2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine

C14H25N3S — CID 115088807

IUPAC2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
SMILESCCN1CCCCC1Cc1nc(C(C)CN)cs1
InChIInChI=1S/C14H25N3S/c1-3-17-7-5-4-6-12(17)8-14-16-13(10-18-14)11(2)9-15/h10-12H,3-9,15H2,1-2H3
InChIKeyRCKPQAGRDXGKOE-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.62
Rot. Bonds5

About 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine

2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine (PubChem CID 115088807) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
PubChem CID115088807
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
SMILESCCN1CCCCC1Cc1nc(C(C)CN)cs1
InChIInChI=1S/C14H25N3S/c1-3-17-7-5-4-6-12(17)8-14-16-13(10-18-14)11(2)9-15/h10-12H,3-9,15H2,1-2H3
InChIKeyRCKPQAGRDXGKOE-UHFFFAOYSA-N
XLogP2.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-ol
CID 115088809
2-[2-(thiolan-2-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088655
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-ol
CID 115088635
2-[2-(2-piperidin-1-ylethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115089632
1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115088795
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086180
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091025
[2-[(1-methylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 115088816
N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 115088688
1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine
CID 83982203
1-[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 83055721
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091040

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The IUPAC name of 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine (CID 115088807) is 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine is CCN1CCCCC1Cc1nc(C(C)CN)cs1.
What is the InChIKey of 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
The InChIKey is RCKPQAGRDXGKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-3-17-7-5-4-6-12(17)8-14-16-13(10-18-14)11(2)9-15/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine?
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine is sourced from PubChem (CID 115088807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).