N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine

C7H13N3S2 — CID 65273816

IUPACN-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCSCC(C)CNc1ncns1
InChIInChI=1S/C7H13N3S2/c1-6(4-11-2)3-8-7-9-5-10-12-7/h5-6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyQXEOJXZSPMVVCU-UHFFFAOYSA-N
MW203.34 g/mol
LogP1.95
Rot. Bonds5

About N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine

N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65273816) has the molecular formula C7H13N3S2 and a molecular weight of 203.34 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65273816
Molecular FormulaC7H13N3S2
Molecular Weight203.34 g/mol
Exact Mass203.06
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCSCC(C)CNc1ncns1
InChIInChI=1S/C7H13N3S2/c1-6(4-11-2)3-8-7-9-5-10-12-7/h5-6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyQXEOJXZSPMVVCU-UHFFFAOYSA-N
XLogP1.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine (CID 65273816) is N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine is CSCC(C)CNc1ncns1.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is QXEOJXZSPMVVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S2/c1-6(4-11-2)3-8-7-9-5-10-12-7/h5-6H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine?
N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 203.34 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).