1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione

C14H15N5S2 — CID 9318591

IUPAC1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione
SMILESCN(Cc1ccsc1)Cn1nnn(-c2ccccc2)c1=S
InChIInChI=1S/C14H15N5S2/c1-17(9-12-7-8-21-10-12)11-18-14(20)19(16-15-18)13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3
InChIKeyGSSQKHZGZDAPHL-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.95
Rot. Bonds5

About 1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione

1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione (PubChem CID 9318591) has the molecular formula C14H15N5S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione.

Molecular Properties

Compound Name1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione
PubChem CID9318591
Molecular FormulaC14H15N5S2
Molecular Weight317.44 g/mol
Exact Mass317.08
IUPAC Name1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione
SMILESCN(Cc1ccsc1)Cn1nnn(-c2ccccc2)c1=S
InChIInChI=1S/C14H15N5S2/c1-17(9-12-7-8-21-10-12)11-18-14(20)19(16-15-18)13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3
InChIKeyGSSQKHZGZDAPHL-UHFFFAOYSA-N
XLogP2.95
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-(4-tert-butylphenyl)-4-methyl-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-1,2,4-triazole-3-thione
CID 9319092
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]isoindole-1,3-dione
CID 9318609
5-(4-fluorophenyl)-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]-1,3,4-oxadiazole-2-thione
CID 9318923
1-(3-fluorophenyl)-4-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]tetrazole-5-thione
CID 9332253
1-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-4-(3-fluorophenyl)tetrazole-5-thione
CID 9234684
5-(3,5-dimethoxyphenyl)-3-[[methyl(thiophen-3-ylmethyl)amino]methyl]-1,3,4-oxadiazole-2-thione
CID 9319134
1-[[methyl-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]amino]methyl]-4-phenyltetrazole-5-thione
CID 9284918
1-N-methyl-2-phenyl-1-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 62487214
1-[methyl(thiophen-3-ylmethyl)amino]-3-phenylpropan-2-one
CID 62053360
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-thiophen-3-ylmethanamine
CID 56888188
3-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-5-propylsulfanyl-1,3,4-thiadiazole-2-thione
CID 9322302
6-[methyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737759

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione?
The IUPAC name of 1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione (CID 9318591) is 1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione.
What is the SMILES notation for 1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione?
The canonical SMILES for 1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione is CN(Cc1ccsc1)Cn1nnn(-c2ccccc2)c1=S.
What is the InChIKey of 1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione?
The InChIKey is GSSQKHZGZDAPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S2/c1-17(9-12-7-8-21-10-12)11-18-14(20)19(16-15-18)13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3.
What are the key properties of 1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione?
1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione has a molecular weight of 317.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(thiophen-3-ylmethyl)amino]methyl]-4-phenyltetrazole-5-thione is sourced from PubChem (CID 9318591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).