2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

C14H12FN5OS2 — CID 859397

IUPAC2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)NCc1cccs1
InChIInChI=1S/C14H12FN5OS2/c15-10-3-5-11(6-4-10)20-14(17-18-19-20)23-9-13(21)16-8-12-2-1-7-22-12/h1-7H,8-9H2,(H,16,21)
InChIKeyWPZXNUAYVLOHEZ-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.27
Rot. Bonds6

About 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide

2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 859397) has the molecular formula C14H12FN5OS2 and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID859397
Molecular FormulaC14H12FN5OS2
Molecular Weight349.42 g/mol
Exact Mass349.05
IUPAC Name2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CSc1nnnn1-c1ccc(F)cc1)NCc1cccs1
InChIInChI=1S/C14H12FN5OS2/c15-10-3-5-11(6-4-10)20-14(17-18-19-20)23-9-13(21)16-8-12-2-1-7-22-12/h1-7H,8-9H2,(H,16,21)
InChIKeyWPZXNUAYVLOHEZ-UHFFFAOYSA-N
XLogP2.27
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide (CID 859397) is 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is O=C(CSc1nnnn1-c1ccc(F)cc1)NCc1cccs1.
What is the InChIKey of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is WPZXNUAYVLOHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5OS2/c15-10-3-5-11(6-4-10)20-14(17-18-19-20)23-9-13(21)16-8-12-2-1-7-22-12/h1-7H,8-9H2,(H,16,21).
What are the key properties of 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide?
2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 349.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 859397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).