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

C12H21N3S — CID 65073772

IUPAC1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
SMILESCCN1CCCC(NCc2nccs2)CC1
InChIInChI=1S/C12H21N3S/c1-2-15-7-3-4-11(5-8-15)14-10-12-13-6-9-16-12/h6,9,11,14H,2-5,7-8,10H2,1H3
InChIKeyHQEHWGXOVNNZEL-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.11
Rot. Bonds4

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

1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine (PubChem CID 65073772) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
PubChem CID65073772
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
SMILESCCN1CCCC(NCc2nccs2)CC1
InChIInChI=1S/C12H21N3S/c1-2-15-7-3-4-11(5-8-15)14-10-12-13-6-9-16-12/h6,9,11,14H,2-5,7-8,10H2,1H3
InChIKeyHQEHWGXOVNNZEL-UHFFFAOYSA-N
XLogP2.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073726
1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 63001484
4-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 58902693
1-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115724500
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
CID 106899503
4-(1,3-thiazol-2-ylmethylamino)piperidine-1-carboxamide
CID 61283472
1-pyrimidin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperidin-3-amine
CID 55249277
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
3-methyl-N-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 60961816
1-ethyl-N-(1H-pyrazol-4-ylmethyl)azepan-4-amine
CID 65073278
1-(2-phenylethyl)-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61283477

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine?
The IUPAC name of 1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine (CID 65073772) is 1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine?
The canonical SMILES for 1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine is CCN1CCCC(NCc2nccs2)CC1.
What is the InChIKey of 1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine?
The InChIKey is HQEHWGXOVNNZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-15-7-3-4-11(5-8-15)14-10-12-13-6-9-16-12/h6,9,11,14H,2-5,7-8,10H2,1H3.
What are the key properties of 1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine?
1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine has a molecular weight of 239.39 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine is sourced from PubChem (CID 65073772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).