5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine

C7H7N5S2 — CID 80614450

IUPAC5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CSc2ncccn2)s1
InChIInChI=1S/C7H7N5S2/c8-6-12-11-5(14-6)4-13-7-9-2-1-3-10-7/h1-3H,4H2,(H2,8,12)
InChIKeyWKZQTBIWDMBSTL-UHFFFAOYSA-N
MW225.30 g/mol
LogP1.20
Rot. Bonds3

About 5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine

5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 80614450) has the molecular formula C7H7N5S2 and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID80614450
Molecular FormulaC7H7N5S2
Molecular Weight225.30 g/mol
Exact Mass225.01
IUPAC Name5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CSc2ncccn2)s1
InChIInChI=1S/C7H7N5S2/c8-6-12-11-5(14-6)4-13-7-9-2-1-3-10-7/h1-3H,4H2,(H2,8,12)
InChIKeyWKZQTBIWDMBSTL-UHFFFAOYSA-N
XLogP1.20
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine (CID 80614450) is 5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(CSc2ncccn2)s1.
What is the InChIKey of 5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WKZQTBIWDMBSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S2/c8-6-12-11-5(14-6)4-13-7-9-2-1-3-10-7/h1-3H,4H2,(H2,8,12).
What are the key properties of 5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine?
5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 225.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrimidin-2-ylsulfanylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80614450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).