N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine

C7H11N7S2 — CID 80613736

IUPACN-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSc2nnnn2C)s1
InChIInChI=1S/C7H11N7S2/c1-3-8-6-10-9-5(16-6)4-15-7-11-12-13-14(7)2/h3-4H2,1-2H3,(H,8,10)
InChIKeyLHGIVQFKXLXWLC-UHFFFAOYSA-N
MW257.35 g/mol
LogP0.79
Rot. Bonds5

About N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 80613736) has the molecular formula C7H11N7S2 and a molecular weight of 257.35 g/mol. Its IUPAC name is N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
PubChem CID80613736
Molecular FormulaC7H11N7S2
Molecular Weight257.35 g/mol
Exact Mass257.05
IUPAC NameN-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(CSc2nnnn2C)s1
InChIInChI=1S/C7H11N7S2/c1-3-8-6-10-9-5(16-6)4-15-7-11-12-13-14(7)2/h3-4H2,1-2H3,(H,8,10)
InChIKeyLHGIVQFKXLXWLC-UHFFFAOYSA-N
XLogP0.79
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine (CID 80613736) is N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(CSc2nnnn2C)s1.
What is the InChIKey of N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LHGIVQFKXLXWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N7S2/c1-3-8-6-10-9-5(16-6)4-15-7-11-12-13-14(7)2/h3-4H2,1-2H3,(H,8,10).
What are the key properties of N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 257.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80613736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).