(5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium

C15H18N5S2+ — CID 7248515

IUPAC(5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
SMILESCc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)s1
InChIInChI=1S/C15H17N5S2/c1-12-7-8-14(22-12)11-16-9-10-21-15-17-18-19-20(15)13-5-3-2-4-6-13/h2-8,16H,9-11H2,1H3/p+1
InChIKeySGSZWADBSFDKBZ-UHFFFAOYSA-O
MW332.48 g/mol
LogP1.89
Rot. Bonds7

About (5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium

(5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium (PubChem CID 7248515) has the molecular formula C15H18N5S2+ and a molecular weight of 332.48 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
PubChem CID7248515
Molecular FormulaC15H18N5S2+
Molecular Weight332.48 g/mol
Exact Mass332.10
IUPAC Name(5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
SMILESCc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)s1
InChIInChI=1S/C15H17N5S2/c1-12-7-8-14(22-12)11-16-9-10-21-15-17-18-19-20(15)13-5-3-2-4-6-13/h2-8,16H,9-11H2,1H3/p+1
InChIKeySGSZWADBSFDKBZ-UHFFFAOYSA-O
XLogP1.89
TPSA60.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.48
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

furan-2-ylmethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 7248517
N-[(5-methylthiophen-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 47281703
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-1-phenyltetrazole
CID 51140263
[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 8638256
1-(4-methoxyphenyl)-5-(2-phenylethylsulfanyl)tetrazole
CID 112780708
3-methyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]butan-2-amine
CID 62577666
4-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]aniline
CID 43519808
1-phenyl-5-(2-propan-2-yloxyethylsulfanyl)tetrazole
CID 47095844
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 972372
5-[(2-methylphenyl)methylsulfanyl]-1-phenyltetrazole
CID 3638084

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium?
The IUPAC name of (5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium (CID 7248515) is (5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium.
What is the SMILES notation for (5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium?
The canonical SMILES for (5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium is Cc1ccc(C[NH2+]CCSc2nnnn2-c2ccccc2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium?
The InChIKey is SGSZWADBSFDKBZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H17N5S2/c1-12-7-8-14(22-12)11-16-9-10-21-15-17-18-19-20(15)13-5-3-2-4-6-13/h2-8,16H,9-11H2,1H3/p+1.
What are the key properties of (5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium?
(5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium has a molecular weight of 332.48 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-2-yl)methyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium is sourced from PubChem (CID 7248515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).