2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine

C14H25N3S — CID 77093904

IUPAC2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCCN(CCN1CCCCCC1)Cc1cscn1
InChIInChI=1S/C14H25N3S/c1-2-16(11-14-12-18-13-15-14)9-10-17-7-5-3-4-6-8-17/h12-13H,2-11H2,1H3
InChIKeyUNPHYRVGCKGGJX-UHFFFAOYSA-N
MW267.44 g/mol
LogP2.84
Rot. Bonds6

About 2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine

2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 77093904) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID77093904
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC Name2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCCN(CCN1CCCCCC1)Cc1cscn1
InChIInChI=1S/C14H25N3S/c1-2-16(11-14-12-18-13-15-14)9-10-17-7-5-3-4-6-8-17/h12-13H,2-11H2,1H3
InChIKeyUNPHYRVGCKGGJX-UHFFFAOYSA-N
XLogP2.84
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 77093904) is 2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine is CCN(CCN1CCCCCC1)Cc1cscn1.
What is the InChIKey of 2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is UNPHYRVGCKGGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-2-16(11-14-12-18-13-15-14)9-10-17-7-5-3-4-6-8-17/h12-13H,2-11H2,1H3.
What are the key properties of 2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 267.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-ethyl-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 77093904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).