N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C12H15N5O2S — CID 17449643

IUPACN-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1nnn(-c2cccs2)c1=O)C1CC1
InChIInChI=1S/C12H15N5O2S/c1-8(9-4-5-9)13-10(18)7-16-12(19)17(15-14-16)11-3-2-6-20-11/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,18)
InChIKeyFAMJXBJFEBRTDA-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.41
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 17449643) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID17449643
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESCC(NC(=O)Cn1nnn(-c2cccs2)c1=O)C1CC1
InChIInChI=1S/C12H15N5O2S/c1-8(9-4-5-9)13-10(18)7-16-12(19)17(15-14-16)11-3-2-6-20-11/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,18)
InChIKeyFAMJXBJFEBRTDA-UHFFFAOYSA-N
XLogP0.41
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 17449643) is N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is CC(NC(=O)Cn1nnn(-c2cccs2)c1=O)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is FAMJXBJFEBRTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-8(9-4-5-9)13-10(18)7-16-12(19)17(15-14-16)11-3-2-6-20-11/h2-3,6,8-9H,4-5,7H2,1H3,(H,13,18).
What are the key properties of N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 293.35 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 17449643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).