N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C16H11FN6OS2 — CID 1449797

IUPACN-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(F)c1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H11FN6OS2/c17-10-4-3-5-11(8-10)23-16(20-21-22-23)25-9-14(24)19-15-18-12-6-1-2-7-13(12)26-15/h1-8H,9H2,(H,18,19,24)
InChIKeyQWRGAACIFBMABZ-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.14
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 1449797) has the molecular formula C16H11FN6OS2 and a molecular weight of 386.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID1449797
Molecular FormulaC16H11FN6OS2
Molecular Weight386.44 g/mol
Exact Mass386.04
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESO=C(CSc1nnnn1-c1cccc(F)c1)Nc1nc2ccccc2s1
InChIInChI=1S/C16H11FN6OS2/c17-10-4-3-5-11(8-10)23-16(20-21-22-23)25-9-14(24)19-15-18-12-6-1-2-7-13(12)26-15/h1-8H,9H2,(H,18,19,24)
InChIKeyQWRGAACIFBMABZ-UHFFFAOYSA-N
XLogP3.14
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 1449797) is N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is O=C(CSc1nnnn1-c1cccc(F)c1)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is QWRGAACIFBMABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN6OS2/c17-10-4-3-5-11(8-10)23-16(20-21-22-23)25-9-14(24)19-15-18-12-6-1-2-7-13(12)26-15/h1-8H,9H2,(H,18,19,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 386.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 1449797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).