N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine

C10H12FN3S — CID 82191684

IUPACN'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
SMILESNCCCNc1nc2ccc(F)cc2s1
InChIInChI=1S/C10H12FN3S/c11-7-2-3-8-9(6-7)15-10(14-8)13-5-1-4-12/h2-3,6H,1,4-5,12H2,(H,13,14)
InChIKeySGOFYBBWWHCYBU-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.20
Rot. Bonds4

About N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine

N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine (PubChem CID 82191684) has the molecular formula C10H12FN3S and a molecular weight of 225.29 g/mol. Its IUPAC name is N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
PubChem CID82191684
Molecular FormulaC10H12FN3S
Molecular Weight225.29 g/mol
Exact Mass225.07
IUPAC NameN'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
SMILESNCCCNc1nc2ccc(F)cc2s1
InChIInChI=1S/C10H12FN3S/c11-7-2-3-8-9(6-7)15-10(14-8)13-5-1-4-12/h2-3,6H,1,4-5,12H2,(H,13,14)
InChIKeySGOFYBBWWHCYBU-UHFFFAOYSA-N
XLogP2.20
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 107817006
4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]butanoic acid
CID 82193008
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethylurea
CID 83115427
N',N'-diethyl-N-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 79143470
6-fluoro-N-(3-methylsulfinylpropyl)-1,3-benzothiazol-2-amine
CID 113487886
6-fluoro-N-(3-methylsulfonylpropyl)-1,3-benzothiazol-2-amine
CID 79143888
N'-(6-propan-2-yl-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191676
N'-(1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 24710896
N'-(6-ethoxy-1,3-benzothiazol-2-yl)propane-1,3-diamine
CID 82191696
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]ethyl carbamate
CID 83204723
N-(2-cyclobutylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 113479111
N-(2-cyclopentylethyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144535

Frequently Asked Questions

What is the IUPAC name of N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine (CID 82191684) is N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine is NCCCNc1nc2ccc(F)cc2s1.
What is the InChIKey of N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine?
The InChIKey is SGOFYBBWWHCYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3S/c11-7-2-3-8-9(6-7)15-10(14-8)13-5-1-4-12/h2-3,6H,1,4-5,12H2,(H,13,14).
What are the key properties of N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine?
N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine has a molecular weight of 225.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-fluoro-1,3-benzothiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 82191684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).