3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine

C10H11FN2S — CID 39106695

IUPAC3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
SMILESNCCCc1nc2ccc(F)cc2s1
InChIInChI=1S/C10H11FN2S/c11-7-3-4-8-9(6-7)14-10(13-8)2-1-5-12/h3-4,6H,1-2,5,12H2
InChIKeyPXZDSCBLXHLRJT-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.33
Rot. Bonds3

About 3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine

3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine (PubChem CID 39106695) has the molecular formula C10H11FN2S and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
PubChem CID39106695
Molecular FormulaC10H11FN2S
Molecular Weight210.28 g/mol
Exact Mass210.06
IUPAC Name3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
SMILESNCCCc1nc2ccc(F)cc2s1
InChIInChI=1S/C10H11FN2S/c11-7-3-4-8-9(6-7)14-10(13-8)2-1-5-12/h3-4,6H,1-2,5,12H2
InChIKeyPXZDSCBLXHLRJT-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-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

3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 43305639
2-(3-aminopropyl)-1,3-benzothiazol-6-ol
CID 39106581
3-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]hexan-1-amine
CID 79148771
3-(6-ethoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106663
3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propan-1-amine
CID 39106904
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191684
3-[6-(diethylaminomethyl)-1,3-benzothiazol-2-yl]propan-1-amine
CID 39107354
2-[(4-chlorophenyl)methyl]-6-fluoro-1,3-benzothiazole
CID 50850071
3-(2-ethyl-1,3-benzothiazol-6-yl)propan-1-amine
CID 45095376
3-(6-hexoxy-1,3-benzothiazol-2-yl)propan-1-amine
CID 39107285
N-[2-(6-fluoro-1,3-benzothiazol-2-yl)ethyl]cyclopropanamine
CID 79148219
3-[(2-butyl-1,3-benzothiazol-6-yl)oxy]propan-1-amine
CID 82189964

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine?
The IUPAC name of 3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine (CID 39106695) is 3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine is NCCCc1nc2ccc(F)cc2s1.
What is the InChIKey of 3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine?
The InChIKey is PXZDSCBLXHLRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2S/c11-7-3-4-8-9(6-7)14-10(13-8)2-1-5-12/h3-4,6H,1-2,5,12H2.
What are the key properties of 3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine?
3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine has a molecular weight of 210.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1,3-benzothiazol-2-yl)propan-1-amine is sourced from PubChem (CID 39106695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).