9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate

C20H14N4O2S — CID 8677881

IUPAC9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESO=C(Cn1nnc(-c2ccsc2)n1)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H14N4O2S/c25-18(11-24-22-20(21-23-24)13-9-10-27-12-13)26-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-10,12,19H,11H2
InChIKeyJUQTZQHGODPODT-UHFFFAOYSA-N
MW374.43 g/mol
LogP3.71
Rot. Bonds4

About 9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate

9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate (PubChem CID 8677881) has the molecular formula C20H14N4O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate.

Molecular Properties

Compound Name9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
PubChem CID8677881
Molecular FormulaC20H14N4O2S
Molecular Weight374.43 g/mol
Exact Mass374.08
IUPAC Name9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
SMILESO=C(Cn1nnc(-c2ccsc2)n1)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H14N4O2S/c25-18(11-24-22-20(21-23-24)13-9-10-27-12-13)26-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-10,12,19H,11H2
InChIKeyJUQTZQHGODPODT-UHFFFAOYSA-N
XLogP3.71
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-benzothiazol-2-ylmethyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677714
(3,4-dichlorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677471
N-methoxy-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 60709492
(2-chloro-6-fluorophenyl)methyl 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677472
2-amino-N-[6-(5-thiophen-3-yltetrazol-2-yl)hexyl]acetamide
CID 177376627
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677789
N-(4-phenoxyphenyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 9128090
9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951283
N-(2-hydroxyethyl)-2-(5-thiophen-3-yltetrazol-2-yl)acetamide
CID 43416200
2-[[2-(5-thiophen-3-yltetrazol-2-yl)acetyl]amino]oxyacetic acid
CID 63912512
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-(5-thiophen-3-yltetrazol-2-yl)ethanone
CID 9128029
[2-(3-cyanoanilino)-2-oxoethyl] 2-(5-thiophen-3-yltetrazol-2-yl)acetate
CID 8677593

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The IUPAC name of 9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate (CID 8677881) is 9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate.
What is the SMILES notation for 9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The canonical SMILES for 9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate is O=C(Cn1nnc(-c2ccsc2)n1)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
The InChIKey is JUQTZQHGODPODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2S/c25-18(11-24-22-20(21-23-24)13-9-10-27-12-13)26-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-10,12,19H,11H2.
What are the key properties of 9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate?
9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate has a molecular weight of 374.43 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 2-(5-thiophen-3-yltetrazol-2-yl)acetate is sourced from PubChem (CID 8677881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).