N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine

C15H17N5S — CID 78963065

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine
SMILESCC(C)(CNc1nnnn1-c1ccccc1)c1cccs1
InChIInChI=1S/C15H17N5S/c1-15(2,13-9-6-10-21-13)11-16-14-17-18-19-20(14)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H,16,17,19)
InChIKeyXZLRSOCRYNBLJU-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.11
Rot. Bonds5

About N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine

N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine (PubChem CID 78963065) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine
PubChem CID78963065
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine
SMILESCC(C)(CNc1nnnn1-c1ccccc1)c1cccs1
InChIInChI=1S/C15H17N5S/c1-15(2,13-9-6-10-21-13)11-16-14-17-18-19-20(14)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H,16,17,19)
InChIKeyXZLRSOCRYNBLJU-UHFFFAOYSA-N
XLogP3.11
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine (CID 78963065) is N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine is CC(C)(CNc1nnnn1-c1ccccc1)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine?
The InChIKey is XZLRSOCRYNBLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c1-15(2,13-9-6-10-21-13)11-16-14-17-18-19-20(14)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3,(H,16,17,19).
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine has a molecular weight of 299.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-1-phenyltetrazol-5-amine is sourced from PubChem (CID 78963065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).