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

C14H12FN5OS2 — CID 43040534

IUPAC2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)C(Sc1nnnn1Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H12FN5OS2/c15-10-5-3-9(4-6-10)12(13(16)21)23-14-17-18-19-20(14)8-11-2-1-7-22-11/h1-7,12H,8H2,(H2,16,21)
InChIKeyJYTNHIQQGMVGAG-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.24
Rot. Bonds6

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

2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (PubChem CID 43040534) has the molecular formula C14H12FN5OS2 and a molecular weight of 349.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
PubChem CID43040534
Molecular FormulaC14H12FN5OS2
Molecular Weight349.42 g/mol
Exact Mass349.05
IUPAC Name2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
SMILESNC(=O)C(Sc1nnnn1Cc1cccs1)c1ccc(F)cc1
InChIInChI=1S/C14H12FN5OS2/c15-10-5-3-9(4-6-10)12(13(16)21)23-14-17-18-19-20(14)8-11-2-1-7-22-11/h1-7,12H,8H2,(H2,16,21)
InChIKeyJYTNHIQQGMVGAG-UHFFFAOYSA-N
XLogP2.24
TPSA86.69 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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 17454297
N-cyclopropyl-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46639465
(2S)-N-(4-methylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41182860
(2R)-N-(3,5-dimethylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41183093
(2S)-N-(3,5-dimethylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41183094
(2S)-N-(2,5-dimethylphenyl)-2-phenyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 41235014
N-propan-2-yl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 32711288
N-[(2-fluorophenyl)methyl]-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 86919369
N-prop-2-ynyl-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 47145688
2-[2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylpropanoylamino]thiophene-3-carboxamide
CID 46639630
(2R)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
CID 36987635
tert-butyl 2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetate
CID 47120873

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The IUPAC name of 2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide (CID 43040534) is 2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The canonical SMILES for 2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is NC(=O)C(Sc1nnnn1Cc1cccs1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
The InChIKey is JYTNHIQQGMVGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5OS2/c15-10-5-3-9(4-6-10)12(13(16)21)23-14-17-18-19-20(14)8-11-2-1-7-22-11/h1-7,12H,8H2,(H2,16,21).
What are the key properties of 2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide?
2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide has a molecular weight of 349.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide is sourced from PubChem (CID 43040534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).