1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one

C13H12FN5O2S — CID 7801979

IUPAC1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1nnnn1-c1cccc(F)c1
InChIInChI=1S/C13H12FN5O2S/c14-9-3-1-4-10(7-9)19-13(15-16-17-19)22-8-12(21)18-6-2-5-11(18)20/h1,3-4,7H,2,5-6,8H2
InChIKeyRWVQGLOHNKSQAL-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.04
Rot. Bonds4

About 1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one

1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one (PubChem CID 7801979) has the molecular formula C13H12FN5O2S and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
PubChem CID7801979
Molecular FormulaC13H12FN5O2S
Molecular Weight321.34 g/mol
Exact Mass321.07
IUPAC Name1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)CSc1nnnn1-c1cccc(F)c1
InChIInChI=1S/C13H12FN5O2S/c14-9-3-1-4-10(7-9)19-13(15-16-17-19)22-8-12(21)18-6-2-5-11(18)20/h1,3-4,7H,2,5-6,8H2
InChIKeyRWVQGLOHNKSQAL-UHFFFAOYSA-N
XLogP1.04
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
N-cyclopropyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 7801887
N-(4-Fluoro-phenyl)-2-(1-propyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 644910
1-{3-(morpholin-4-yl)-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}pyrrolidin-2-one
CID 659756
1-Morpholin-4-yl-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 851331
N-cyclohexyl-N-methyl-2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]acetamide
CID 2999647
2-{[1-(2,4-difluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
CID 1135803
1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]imidazolidin-2-one
CID 718065
4-(4-fluorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl 2-oxo-2-(1-pyrrolidinyl)ethyl sulfide
CID 893142
N-(3-Fluoro-phenyl)-2-(1-isopropyl-1H-tetrazol-5-ylsulfanyl)-acetamide
CID 1452353

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one (CID 7801979) is 1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one is O=C1CCCN1C(=O)CSc1nnnn1-c1cccc(F)c1.
What is the InChIKey of 1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
The InChIKey is RWVQGLOHNKSQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O2S/c14-9-3-1-4-10(7-9)19-13(15-16-17-19)22-8-12(21)18-6-2-5-11(18)20/h1,3-4,7H,2,5-6,8H2.
What are the key properties of 1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one?
1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one has a molecular weight of 321.34 g/mol, XLogP of 1.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetyl]pyrrolidin-2-one is sourced from PubChem (CID 7801979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).