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

C14H25N3S — CID 62751801

IUPACN-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCC1CCCN(c2ncc(CNC(C)C)s2)C1
InChIInChI=1S/C14H25N3S/c1-4-12-6-5-7-17(10-12)14-16-9-13(18-14)8-15-11(2)3/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyAHZROYDQRLXJAH-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.27
Rot. Bonds5

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

N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62751801) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62751801
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCC1CCCN(c2ncc(CNC(C)C)s2)C1
InChIInChI=1S/C14H25N3S/c1-4-12-6-5-7-17(10-12)14-16-9-13(18-14)8-15-11(2)3/h9,11-12,15H,4-8,10H2,1-3H3
InChIKeyAHZROYDQRLXJAH-UHFFFAOYSA-N
XLogP3.27
TPSA28.16 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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62751801) is N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCC1CCCN(c2ncc(CNC(C)C)s2)C1.
What is the InChIKey of N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is AHZROYDQRLXJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-12-6-5-7-17(10-12)14-16-9-13(18-14)8-15-11(2)3/h9,11-12,15H,4-8,10H2,1-3H3.
What are the key properties of N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 267.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62751801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).