2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C15H17FN2S2 — CID 66053672

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(CSc3ccccc3F)sc21
InChIInChI=1S/C15H17FN2S2/c1-17-11-6-4-7-12-15(11)20-14(18-12)9-19-13-8-3-2-5-10(13)16/h2-3,5,8,11,17H,4,6-7,9H2,1H3
InChIKeySOOSPMUFCIYTCU-UHFFFAOYSA-N
MW308.45 g/mol
LogP4.17
Rot. Bonds4

About 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 66053672) has the molecular formula C15H17FN2S2 and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID66053672
Molecular FormulaC15H17FN2S2
Molecular Weight308.45 g/mol
Exact Mass308.08
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCNC1CCCc2nc(CSc3ccccc3F)sc21
InChIInChI=1S/C15H17FN2S2/c1-17-11-6-4-7-12-15(11)20-14(18-12)9-19-13-8-3-2-5-10(13)16/h2-3,5,8,11,17H,4,6-7,9H2,1H3
InChIKeySOOSPMUFCIYTCU-UHFFFAOYSA-N
XLogP4.17
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 66053672) is 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is CNC1CCCc2nc(CSc3ccccc3F)sc21.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is SOOSPMUFCIYTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S2/c1-17-11-6-4-7-12-15(11)20-14(18-12)9-19-13-8-3-2-5-10(13)16/h2-3,5,8,11,17H,4,6-7,9H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 308.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 66053672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).