5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine

C12H21N3S — CID 103363126

IUPAC5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
SMILESCCCC1CCCN(c2cc(N)ns2)CC1
InChIInChI=1S/C12H21N3S/c1-2-4-10-5-3-7-15(8-6-10)12-9-11(13)14-16-12/h9-10H,2-8H2,1H3,(H2,13,14)
InChIKeyBKTVNQCTTBEPFR-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.13
Rot. Bonds3

About 5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine

5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine (PubChem CID 103363126) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
PubChem CID103363126
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
SMILESCCCC1CCCN(c2cc(N)ns2)CC1
InChIInChI=1S/C12H21N3S/c1-2-4-10-5-3-7-15(8-6-10)12-9-11(13)14-16-12/h9-10H,2-8H2,1H3,(H2,13,14)
InChIKeyBKTVNQCTTBEPFR-UHFFFAOYSA-N
XLogP3.13
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine 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

5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363237
5-bromo-4-fluoro-2-(4-propylazepan-1-yl)aniline
CID 66111343
4-ethoxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
CID 103363122
5-[3-(dimethylamino)pyrrolidin-1-yl]-1,2-thiazol-3-amine
CID 103362838
4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
CID 103363125
1-methyl-3-(4-propylazepan-1-yl)pyrazol-4-amine
CID 103078569
5-(4-propylpiperidin-1-yl)-1,2,4-thiadiazol-3-amine
CID 66280341
1-[2-(bromomethyl)-4-methylphenyl]-4-propylazepane
CID 114054707
4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole
CID 79398816
3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
CID 66013850
4-propyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751213
1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane
CID 114047629

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine (CID 103363126) is 5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine is CCCC1CCCN(c2cc(N)ns2)CC1.
What is the InChIKey of 5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine?
The InChIKey is BKTVNQCTTBEPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-4-10-5-3-7-15(8-6-10)12-9-11(13)14-16-12/h9-10H,2-8H2,1H3,(H2,13,14).
What are the key properties of 5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine?
5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine has a molecular weight of 239.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103363126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).