(3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone

C10H8FN5OS — CID 167987880

IUPAC(3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2nn[nH]n2)c1)N1CC=C(F)C1
InChIInChI=1S/C10H8FN5OS/c11-7-1-2-16(4-7)10(17)6-3-8(18-5-6)9-12-14-15-13-9/h1,3,5H,2,4H2,(H,12,13,14,15)
InChIKeyPUIYQGHJIRFQIK-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.24
Rot. Bonds2

About (3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone

(3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone (PubChem CID 167987880) has the molecular formula C10H8FN5OS and a molecular weight of 265.27 g/mol. Its IUPAC name is (3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone
PubChem CID167987880
Molecular FormulaC10H8FN5OS
Molecular Weight265.27 g/mol
Exact Mass265.04
IUPAC Name(3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone
SMILESO=C(c1csc(-c2nn[nH]n2)c1)N1CC=C(F)C1
InChIInChI=1S/C10H8FN5OS/c11-7-1-2-16(4-7)10(17)6-3-8(18-5-6)9-12-14-15-13-9/h1,3,5H,2,4H2,(H,12,13,14,15)
InChIKeyPUIYQGHJIRFQIK-UHFFFAOYSA-N
XLogP1.24
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone?
The IUPAC name of (3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone (CID 167987880) is (3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone.
What is the SMILES notation for (3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone?
The canonical SMILES for (3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone is O=C(c1csc(-c2nn[nH]n2)c1)N1CC=C(F)C1.
What is the InChIKey of (3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone?
The InChIKey is PUIYQGHJIRFQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5OS/c11-7-1-2-16(4-7)10(17)6-3-8(18-5-6)9-12-14-15-13-9/h1,3,5H,2,4H2,(H,12,13,14,15).
What are the key properties of (3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone?
(3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone has a molecular weight of 265.27 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2,5-dihydropyrrol-1-yl)-[5-(2H-tetrazol-5-yl)thiophen-3-yl]methanone is sourced from PubChem (CID 167987880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).