propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate

C10H12N4O2S — CID 862090

IUPACpropan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate
SMILESCC(C)OC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C10H12N4O2S/c1-7(2)16-9(15)6-14-12-10(11-13-14)8-4-3-5-17-8/h3-5,7H,6H2,1-2H3
InChIKeyOVNHIJAXQQZPMX-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.35
Rot. Bonds4

About propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate

propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate (PubChem CID 862090) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate
PubChem CID862090
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Namepropan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate
SMILESCC(C)OC(=O)Cn1nnc(-c2cccs2)n1
InChIInChI=1S/C10H12N4O2S/c1-7(2)16-9(15)6-14-12-10(11-13-14)8-4-3-5-17-8/h3-5,7H,6H2,1-2H3
InChIKeyOVNHIJAXQQZPMX-UHFFFAOYSA-N
XLogP1.35
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8541692
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-(5-thiophen-2-yltetrazol-2-yl)ethanone
CID 115966127
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8543451
N-(1-hydroxybutan-2-yl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 43393225
2-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]acetic acid
CID 43354422
N-(cyclopropylmethyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 856765
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8542475
N-(3-propan-2-ylphenyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 78806265
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(5-thiophen-2-yltetrazol-2-yl)acetate
CID 8541753
N-(2,3-dihydroxypropyl)-2-(5-thiophen-2-yltetrazol-2-yl)acetamide
CID 66175567
3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]propanoic acid
CID 43354761
3-methyl-3-[[2-(5-thiophen-2-yltetrazol-2-yl)acetyl]amino]butanoic acid
CID 64670550

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
The IUPAC name of propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate (CID 862090) is propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
The canonical SMILES for propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate is CC(C)OC(=O)Cn1nnc(-c2cccs2)n1.
What is the InChIKey of propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
The InChIKey is OVNHIJAXQQZPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c1-7(2)16-9(15)6-14-12-10(11-13-14)8-4-3-5-17-8/h3-5,7H,6H2,1-2H3.
What are the key properties of propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate?
propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate has a molecular weight of 252.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(5-thiophen-2-yltetrazol-2-yl)acetate is sourced from PubChem (CID 862090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).