N,5-dimethyl-1,3,4-thiadiazol-2-amine

C4H7N3S — CID 3161286

IUPACN,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(C)s1
InChIInChI=1S/C4H7N3S/c1-3-6-7-4(5-2)8-3/h1-2H3,(H,5,7)
InChIKeyVJRHHVGPZXCQSS-UHFFFAOYSA-N
MW129.19 g/mol
LogP0.89
Rot. Bonds1

About N,5-dimethyl-1,3,4-thiadiazol-2-amine

N,5-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 3161286) has the molecular formula C4H7N3S and a molecular weight of 129.19 g/mol. Its IUPAC name is N,5-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID3161286
Molecular FormulaC4H7N3S
Molecular Weight129.19 g/mol
Exact Mass129.04
IUPAC NameN,5-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(C)s1
InChIInChI=1S/C4H7N3S/c1-3-6-7-4(5-2)8-3/h1-2H3,(H,5,7)
InChIKeyVJRHHVGPZXCQSS-UHFFFAOYSA-N
XLogP0.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N,5-dimethyl-1,3,4-thiadiazol-2-amine (CID 3161286) is N,5-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N,5-dimethyl-1,3,4-thiadiazol-2-amine is CNc1nnc(C)s1.
What is the InChIKey of N,5-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is VJRHHVGPZXCQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3S/c1-3-6-7-4(5-2)8-3/h1-2H3,(H,5,7).
What are the key properties of N,5-dimethyl-1,3,4-thiadiazol-2-amine?
N,5-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 129.19 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 3161286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).