[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine

C15H13FN2S2 — CID 43530097

IUPAC[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(CSc2nc3ccccc3s2)c1
InChIInChI=1S/C15H13FN2S2/c16-12-6-5-10(8-17)7-11(12)9-19-15-18-13-3-1-2-4-14(13)20-15/h1-7H,8-9,17H2
InChIKeyUKYHNCJKBYGASH-UHFFFAOYSA-N
MW304.42 g/mol
LogP4.19
Rot. Bonds4

About [3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine

[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine (PubChem CID 43530097) has the molecular formula C15H13FN2S2 and a molecular weight of 304.42 g/mol. Its IUPAC name is [3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
PubChem CID43530097
Molecular FormulaC15H13FN2S2
Molecular Weight304.42 g/mol
Exact Mass304.05
IUPAC Name[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine
SMILESNCc1ccc(F)c(CSc2nc3ccccc3s2)c1
InChIInChI=1S/C15H13FN2S2/c16-12-6-5-10(8-17)7-11(12)9-19-15-18-13-3-1-2-4-14(13)20-15/h1-7H,8-9,17H2
InChIKeyUKYHNCJKBYGASH-UHFFFAOYSA-N
XLogP4.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine 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

[2-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 43530095
2-(1,3-benzothiazol-2-ylsulfanylmethyl)-5-chloroaniline
CID 62101103
2-[(5-chloro-2-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-amine
CID 103049424
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-3-fluorobenzenecarboximidamide
CID 28556815
[3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-fluorophenyl]methanamine
CID 62304801
3-(1,3-benzothiazol-2-ylsulfanylmethyl)-1H-pyrrole-2,5-diol
CID 54251376
2-(1,3-benzothiazol-2-ylsulfanylmethyl)pyridin-4-amine
CID 79260065
2-(quinolin-2-ylmethylsulfanyl)-1,3-benzothiazole
CID 6919192
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N'-[2-(2-fluorophenyl)acetyl]benzohydrazide
CID 24635702
2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzonitrile
CID 575833
2-[(2-bromo-5-iodophenyl)methylsulfanyl]-1,3-benzothiazole
CID 11363202
3-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-fluorobenzenecarboximidamide
CID 107118435

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine?
The IUPAC name of [3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine (CID 43530097) is [3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine is NCc1ccc(F)c(CSc2nc3ccccc3s2)c1.
What is the InChIKey of [3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine?
The InChIKey is UKYHNCJKBYGASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2S2/c16-12-6-5-10(8-17)7-11(12)9-19-15-18-13-3-1-2-4-14(13)20-15/h1-7H,8-9,17H2.
What are the key properties of [3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine?
[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine has a molecular weight of 304.42 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 43530097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).