N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide

C15H11FN2OS2 — CID 18585541

IUPACN-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc2scnc2c1
InChIInChI=1S/C15H11FN2OS2/c16-10-1-4-12(5-2-10)20-8-15(19)18-11-3-6-14-13(7-11)17-9-21-14/h1-7,9H,8H2,(H,18,19)
InChIKeyFCZCKBWAPKEVKC-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.17
Rot. Bonds4

About N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide

N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 18585541) has the molecular formula C15H11FN2OS2 and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID18585541
Molecular FormulaC15H11FN2OS2
Molecular Weight318.40 g/mol
Exact Mass318.03
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)Nc1ccc2scnc2c1
InChIInChI=1S/C15H11FN2OS2/c16-10-1-4-12(5-2-10)20-8-15(19)18-11-3-6-14-13(7-11)17-9-21-14/h1-7,9H,8H2,(H,18,19)
InChIKeyFCZCKBWAPKEVKC-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide (CID 18585541) is N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)Nc1ccc2scnc2c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is FCZCKBWAPKEVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS2/c16-10-1-4-12(5-2-10)20-8-15(19)18-11-3-6-14-13(7-11)17-9-21-14/h1-7,9H,8H2,(H,18,19).
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide?
N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 318.40 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 N-(1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 18585541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).