1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine

C13H23N3S — CID 64543181

IUPAC1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCC1CCCN(c2nc(C(C)N)cs2)CC1
InChIInChI=1S/C13H23N3S/c1-3-11-5-4-7-16(8-6-11)13-15-12(9-17-13)10(2)14/h9-11H,3-8,14H2,1-2H3
InChIKeyFLGQZVGABWJFOQ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.18
Rot. Bonds3

About 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine

1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine (PubChem CID 64543181) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine
PubChem CID64543181
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine
SMILESCCC1CCCN(c2nc(C(C)N)cs2)CC1
InChIInChI=1S/C13H23N3S/c1-3-11-5-4-7-16(8-6-11)13-15-12(9-17-13)10(2)14/h9-11H,3-8,14H2,1-2H3
InChIKeyFLGQZVGABWJFOQ-UHFFFAOYSA-N
XLogP3.18
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanol
CID 64542379
ethyl 2-(4-ethylazepan-1-yl)-1,3-thiazole-4-carboxylate
CID 80569559
1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine
CID 81206031
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-1,3-thiazol-4-yl]ethanamine
CID 64545360
1-[2-(3-ethylcyclohexyl)-1,3-thiazol-4-yl]ethanamine
CID 65415626
4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole
CID 79398816
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,3-thiazol-4-yl]ethanamine
CID 66369468
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044
2-[3-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63392700
2-[3-(bromomethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 80673929
2-(4-bromoazepan-1-yl)-4-ethyl-1,3-thiazole
CID 130978942
2-[4-(chloromethyl)piperidin-1-yl]-4-ethyl-1,3-thiazole
CID 63389754

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine?
The IUPAC name of 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine (CID 64543181) is 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine is CCC1CCCN(c2nc(C(C)N)cs2)CC1.
What is the InChIKey of 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine?
The InChIKey is FLGQZVGABWJFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-11-5-4-7-16(8-6-11)13-15-12(9-17-13)10(2)14/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine?
1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine has a molecular weight of 253.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylazepan-1-yl)-1,3-thiazol-4-yl]ethanamine is sourced from PubChem (CID 64543181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).