2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine

C11H18ClN3S — CID 107125612

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine
SMILESCCN1CCCCC(N)C1c1ncc(Cl)s1
InChIInChI=1S/C11H18ClN3S/c1-2-15-6-4-3-5-8(13)10(15)11-14-7-9(12)16-11/h7-8,10H,2-6,13H2,1H3
InChIKeyFTNSLCHMLVNFFH-UHFFFAOYSA-N
MW259.81 g/mol
LogP2.67
Rot. Bonds2

About 2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine

2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine (PubChem CID 107125612) has the molecular formula C11H18ClN3S and a molecular weight of 259.81 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine
PubChem CID107125612
Molecular FormulaC11H18ClN3S
Molecular Weight259.81 g/mol
Exact Mass259.09
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine
SMILESCCN1CCCCC(N)C1c1ncc(Cl)s1
InChIInChI=1S/C11H18ClN3S/c1-2-15-6-4-3-5-8(13)10(15)11-14-7-9(12)16-11/h7-8,10H,2-6,13H2,1H3
InChIKeyFTNSLCHMLVNFFH-UHFFFAOYSA-N
XLogP2.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.81
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-1,3-thiazol-2-yl)-1-cyclopropylpiperidin-3-amine
CID 107125602
6-amino-7-(5-chloro-1,3-thiazol-2-yl)-1-(2-methylpropyl)azepan-2-one
CID 107125594
2-(5-chloro-2-fluorophenyl)-1-ethylazepan-3-amine
CID 114866715
2-(4-chloro-2-methylphenyl)-1-ethylazepan-3-amine
CID 114075962
1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 107125538
1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
CID 66163787
1-ethyl-2-(6-methoxy-2-pyridinyl)azepan-3-amine
CID 103348628
2-(3,4-dibromophenyl)-1-ethylazepan-3-amine
CID 114077570
[1-ethyl-2-(3-methylimidazol-4-yl)azepan-3-yl]methanamine
CID 66116859
1-[2-(1-ethylpiperidin-2-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 115090687
2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine
CID 79977584
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091025

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine (CID 107125612) is 2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine is CCN1CCCCC(N)C1c1ncc(Cl)s1.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine?
The InChIKey is FTNSLCHMLVNFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3S/c1-2-15-6-4-3-5-8(13)10(15)11-14-7-9(12)16-11/h7-8,10H,2-6,13H2,1H3.
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine?
2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine has a molecular weight of 259.81 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-1-ethylazepan-3-amine is sourced from PubChem (CID 107125612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).