6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine

C10H15N3S — CID 5374

💊View drug profile → talipexole
IUPAC6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
SMILESC=CCN1CCc2nc(N)sc2CC1
InChIInChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
InChIKeyDHSSDEDRBUKTQY-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.31
Rot. Bonds2

About 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine

6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine (PubChem CID 5374) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine.

Molecular Properties

Compound Name6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
PubChem CID5374
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
SMILESC=CCN1CCc2nc(N)sc2CC1
InChIInChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12)
InChIKeyDHSSDEDRBUKTQY-UHFFFAOYSA-N
XLogP1.31
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-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

Talipexole dihydrochloride
CID 104870
5,6,7,8-Tetrahydro-6-(2-propenyl)-4H-thiazolo[4,5-D]azepine-2-amine dihydrochloride
CID 6852379
4H-Thiazolo(4,5-d)azepin-2-amine, 5,6,7,8-tetrahydro-6-ethyl-, dihydrochloride
CID 215694
6-ethyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-amine
CID 215695
2-(2-Amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)ethanol
CID 215686
6-Prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine chloride
CID 53313178
2-(diaminomethylideneamino)-N-propan-2-yl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepine-6-carbothioamide
CID 13690627
6-(3-Dihydroxyphosphinothioylpropyl)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
CID 18756965
3-(2-Amino-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl)propylphosphonic acid
CID 18756966
5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-ylamine dihydrobromide
CID 19985784
2-Amino-4,5,6,7,8-pentahydrothiazolo[5,4-d]azepine
CID 19985785
2-amino-6-propargyl-4,5,7,8-tetrahydro-6H-thiazolo[5,4-d]azepine
CID 19985967

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine?
The IUPAC name of 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine (CID 5374) is 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine.
What is the SMILES notation for 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine?
The canonical SMILES for 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine is C=CCN1CCc2nc(N)sc2CC1.
What is the InChIKey of 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine?
The InChIKey is DHSSDEDRBUKTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-5-13-6-3-8-9(4-7-13)14-10(11)12-8/h2H,1,3-7H2,(H2,11,12).
What are the key properties of 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine?
6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine has a molecular weight of 209.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine is sourced from PubChem (CID 5374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).