5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C9H17N3S3 — CID 103362276

IUPAC5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSCC(C)CNc1snc(N)c1SC
InChIInChI=1S/C9H17N3S3/c1-6(5-13-2)4-11-9-7(14-3)8(10)12-15-9/h6,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyACFPJOPYGOCSAS-UHFFFAOYSA-N
MW263.46 g/mol
LogP2.86
Rot. Bonds6

About 5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103362276) has the molecular formula C9H17N3S3 and a molecular weight of 263.46 g/mol. Its IUPAC name is 5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103362276
Molecular FormulaC9H17N3S3
Molecular Weight263.46 g/mol
Exact Mass263.06
IUPAC Name5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSCC(C)CNc1snc(N)c1SC
InChIInChI=1S/C9H17N3S3/c1-6(5-13-2)4-11-9-7(14-3)8(10)12-15-9/h6,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeyACFPJOPYGOCSAS-UHFFFAOYSA-N
XLogP2.86
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103362276) is 5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSCC(C)CNc1snc(N)c1SC.
What is the InChIKey of 5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is ACFPJOPYGOCSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S3/c1-6(5-13-2)4-11-9-7(14-3)8(10)12-15-9/h6,11H,4-5H2,1-3H3,(H2,10,12).
What are the key properties of 5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 263.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methyl-3-methylsulfanylpropyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).