1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine

C15H17N5S — CID 94497174

IUPAC1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2N[C@H](C)c2ccc(C)s2)cc1
InChIInChI=1S/C15H17N5S/c1-10-4-7-13(8-5-10)20-15(17-18-19-20)16-12(3)14-9-6-11(2)21-14/h4-9,12H,1-3H3,(H,16,17,19)/t12-/m1/s1
InChIKeyPLRGIHBPIRNERV-GFCCVEGCSA-N
MW299.40 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine

1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine (PubChem CID 94497174) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine
PubChem CID94497174
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine
SMILESCc1ccc(-n2nnnc2N[C@H](C)c2ccc(C)s2)cc1
InChIInChI=1S/C15H17N5S/c1-10-4-7-13(8-5-10)20-15(17-18-19-20)16-12(3)14-9-6-11(2)21-14/h4-9,12H,1-3H3,(H,16,17,19)/t12-/m1/s1
InChIKeyPLRGIHBPIRNERV-GFCCVEGCSA-N
XLogP3.51
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine?
The IUPAC name of 1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine (CID 94497174) is 1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine is Cc1ccc(-n2nnnc2N[C@H](C)c2ccc(C)s2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine?
The InChIKey is PLRGIHBPIRNERV-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N5S/c1-10-4-7-13(8-5-10)20-15(17-18-19-20)16-12(3)14-9-6-11(2)21-14/h4-9,12H,1-3H3,(H,16,17,19)/t12-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine?
1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine has a molecular weight of 299.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]tetrazol-5-amine is sourced from PubChem (CID 94497174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).