1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole

C15H16N4S — CID 54227225

IUPAC1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole
SMILESCn1nnnc1-c1ccc(CCCc2ccccc2)s1
InChIInChI=1S/C15H16N4S/c1-19-15(16-17-18-19)14-11-10-13(20-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyQGRYVZSQLSJAMW-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.11
Rot. Bonds5

About 1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole

1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole (PubChem CID 54227225) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole.

Molecular Properties

Compound Name1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole
PubChem CID54227225
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole
SMILESCn1nnnc1-c1ccc(CCCc2ccccc2)s1
InChIInChI=1S/C15H16N4S/c1-19-15(16-17-18-19)14-11-10-13(20-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3
InChIKeyQGRYVZSQLSJAMW-UHFFFAOYSA-N
XLogP3.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole?
The IUPAC name of 1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole (CID 54227225) is 1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole.
What is the SMILES notation for 1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole?
The canonical SMILES for 1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole is Cn1nnnc1-c1ccc(CCCc2ccccc2)s1.
What is the InChIKey of 1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole?
The InChIKey is QGRYVZSQLSJAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-19-15(16-17-18-19)14-11-10-13(20-14)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,8-9H2,1H3.
What are the key properties of 1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole?
1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole has a molecular weight of 284.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[5-(3-phenylpropyl)thiophen-2-yl]tetrazole is sourced from PubChem (CID 54227225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).