(3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone

C11H12FN5OS — CID 166314498

IUPAC(3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC1(c2nn[nH]n2)CCN(C(=O)c2sccc2F)C1
InChIInChI=1S/C11H12FN5OS/c1-11(10-13-15-16-14-10)3-4-17(6-11)9(18)8-7(12)2-5-19-8/h2,5H,3-4,6H2,1H3,(H,13,14,15,16)
InChIKeyQKZGVQFNFOUENU-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.20
Rot. Bonds2

About (3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone

(3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 166314498) has the molecular formula C11H12FN5OS and a molecular weight of 281.32 g/mol. Its IUPAC name is (3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID166314498
Molecular FormulaC11H12FN5OS
Molecular Weight281.32 g/mol
Exact Mass281.07
IUPAC Name(3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCC1(c2nn[nH]n2)CCN(C(=O)c2sccc2F)C1
InChIInChI=1S/C11H12FN5OS/c1-11(10-13-15-16-14-10)3-4-17(6-11)9(18)8-7(12)2-5-19-8/h2,5H,3-4,6H2,1H3,(H,13,14,15,16)
InChIKeyQKZGVQFNFOUENU-UHFFFAOYSA-N
XLogP1.20
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone (CID 166314498) is (3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone is CC1(c2nn[nH]n2)CCN(C(=O)c2sccc2F)C1.
What is the InChIKey of (3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QKZGVQFNFOUENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5OS/c1-11(10-13-15-16-14-10)3-4-17(6-11)9(18)8-7(12)2-5-19-8/h2,5H,3-4,6H2,1H3,(H,13,14,15,16).
What are the key properties of (3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone?
(3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 281.32 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorothiophen-2-yl)-[3-methyl-3-(2H-tetrazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 166314498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).