[5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

C14H13N5O2S — CID 146146572

IUPAC[5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1coc(-c2nn[nH]n2)c1)N1CCCC1c1cccs1
InChIInChI=1S/C14H13N5O2S/c20-14(9-7-11(21-8-9)13-15-17-18-16-13)19-5-1-3-10(19)12-4-2-6-22-12/h2,4,6-8,10H,1,3,5H2,(H,15,16,17,18)
InChIKeySHFGMMQTNXUKFO-UHFFFAOYSA-N
MW315.36 g/mol
LogP2.50
Rot. Bonds3

About [5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone

[5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (PubChem CID 146146572) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is [5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
PubChem CID146146572
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name[5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
SMILESO=C(c1coc(-c2nn[nH]n2)c1)N1CCCC1c1cccs1
InChIInChI=1S/C14H13N5O2S/c20-14(9-7-11(21-8-9)13-15-17-18-16-13)19-5-1-3-10(19)12-4-2-6-22-12/h2,4,6-8,10H,1,3,5H2,(H,15,16,17,18)
InChIKeySHFGMMQTNXUKFO-UHFFFAOYSA-N
XLogP2.50
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-chlorophenyl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47102179
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CID 103998485
(6-methyl-3-pyridinyl)-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 29284515
4-methyl-7-[(2S)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 94469761
[4-(dimethylamino)phenyl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 30035561
(2-chlorofuran-3-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 106686175
(3-phenyl-1,2-oxazol-5-yl)-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 51612891
N,N-diethyl-4-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 51152885
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]ethanone
CID 94871156
(4-amino-1H-pyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 61115824
1-[3-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]phenyl]pyrrolidine-2,5-dione
CID 9440775
2-sulfanylidene-7-[(2R)-2-thiophen-2-ylpyrrolidine-1-carbonyl]-1H-quinazolin-4-one
CID 95045596

Frequently Asked Questions

What is the IUPAC name of [5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone (CID 146146572) is [5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is O=C(c1coc(-c2nn[nH]n2)c1)N1CCCC1c1cccs1.
What is the InChIKey of [5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is SHFGMMQTNXUKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2S/c20-14(9-7-11(21-8-9)13-15-17-18-16-13)19-5-1-3-10(19)12-4-2-6-22-12/h2,4,6-8,10H,1,3,5H2,(H,15,16,17,18).
What are the key properties of [5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone?
[5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 315.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2H-tetrazol-5-yl)furan-3-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 146146572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).