2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

C9H8FN5OS — CID 673050

IUPAC2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C9H8FN5OS/c10-6-1-3-7(4-2-6)15-9(12-13-14-15)17-5-8(11)16/h1-4H,5H2,(H2,11,16)
InChIKeyDWTLUFHWIHQDMW-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.38
Rot. Bonds4

About 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide

2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 673050) has the molecular formula C9H8FN5OS and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID673050
Molecular FormulaC9H8FN5OS
Molecular Weight253.26 g/mol
Exact Mass253.04
IUPAC Name2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)CSc1nnnn1-c1ccc(F)cc1
InChIInChI=1S/C9H8FN5OS/c10-6-1-3-7(4-2-6)15-9(12-13-14-15)17-5-8(11)16/h1-4H,5H2,(H2,11,16)
InChIKeyDWTLUFHWIHQDMW-UHFFFAOYSA-N
XLogP0.38
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 702136
Stk291648
CID 4424052
2-(1-Ethyl-1H-tetrazol-5-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
CID 855256
N-(2-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452354
2-{[1-(2-chlorophenyl)-1H-tetrazol-5-yl]thio}acetamide
CID 2223242
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-fluorophenyl)acetamide
CID 2364876
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
N-(4-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 738629
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
3-[(1-Phenyl-1H-tetrazol-5-yl)thio]propanoic acid
CID 649116
[(1-phenyl-1H-tetrazol-5-yl)thio]acetic acid
CID 675082
2-[(1-cyclohexyl-1H-tetrazol-5-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
CID 805201

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide (CID 673050) is 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is NC(=O)CSc1nnnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is DWTLUFHWIHQDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN5OS/c10-6-1-3-7(4-2-6)15-9(12-13-14-15)17-5-8(11)16/h1-4H,5H2,(H2,11,16).
What are the key properties of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide?
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 253.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 673050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).