N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine

C12H19N5S — CID 62761157

IUPACN-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C(C)c1cc(C)sc1C
InChIInChI=1S/C12H19N5S/c1-5-13-7-12-14-15-16-17(12)9(3)11-6-8(2)18-10(11)4/h6,9,13H,5,7H2,1-4H3
InChIKeyCHTSCLPJNURLSX-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.07
Rot. Bonds5

About N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine

N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine (PubChem CID 62761157) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine
PubChem CID62761157
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC NameN-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C(C)c1cc(C)sc1C
InChIInChI=1S/C12H19N5S/c1-5-13-7-12-14-15-16-17(12)9(3)11-6-8(2)18-10(11)4/h6,9,13H,5,7H2,1-4H3
InChIKeyCHTSCLPJNURLSX-UHFFFAOYSA-N
XLogP2.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine (CID 62761157) is N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1C(C)c1cc(C)sc1C.
What is the InChIKey of N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine?
The InChIKey is CHTSCLPJNURLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-5-13-7-12-14-15-16-17(12)9(3)11-6-8(2)18-10(11)4/h6,9,13H,5,7H2,1-4H3.
What are the key properties of N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine?
N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine has a molecular weight of 265.39 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2,5-dimethylthiophen-3-yl)ethyl]tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62761157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).