1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine

C12H21N3S — CID 65077391

IUPAC1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
SMILESCCN1CCCC(N)(c2nc(C)cs2)CC1
InChIInChI=1S/C12H21N3S/c1-3-15-7-4-5-12(13,6-8-15)11-14-10(2)9-16-11/h9H,3-8,13H2,1-2H3
InChIKeyKVQBOJFHSYHDNF-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.11
Rot. Bonds2

About 1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine

1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine (PubChem CID 65077391) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
PubChem CID65077391
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine
SMILESCCN1CCCC(N)(c2nc(C)cs2)CC1
InChIInChI=1S/C12H21N3S/c1-3-15-7-4-5-12(13,6-8-15)11-14-10(2)9-16-11/h9H,3-8,13H2,1-2H3
InChIKeyKVQBOJFHSYHDNF-UHFFFAOYSA-N
XLogP2.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

Analyze 1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine?
The IUPAC name of 1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine (CID 65077391) is 1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine?
The canonical SMILES for 1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine is CCN1CCCC(N)(c2nc(C)cs2)CC1.
What is the InChIKey of 1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine?
The InChIKey is KVQBOJFHSYHDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-15-7-4-5-12(13,6-8-15)11-14-10(2)9-16-11/h9H,3-8,13H2,1-2H3.
What are the key properties of 1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine?
1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine has a molecular weight of 239.39 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(4-methyl-1,3-thiazol-2-yl)azepan-4-amine is sourced from PubChem (CID 65077391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).