5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

C9H17N3OS2 — CID 103361471

IUPAC5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCCN(CCOC)c1snc(N)c1SC
InChIInChI=1S/C9H17N3OS2/c1-4-12(5-6-13-2)9-7(14-3)8(10)11-15-9/h4-6H2,1-3H3,(H2,10,11)
InChIKeyOOKCCIABKUNECB-UHFFFAOYSA-N
MW247.39 g/mol
LogP1.92
Rot. Bonds6

About 5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine

5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103361471) has the molecular formula C9H17N3OS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103361471
Molecular FormulaC9H17N3OS2
Molecular Weight247.39 g/mol
Exact Mass247.08
IUPAC Name5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCCN(CCOC)c1snc(N)c1SC
InChIInChI=1S/C9H17N3OS2/c1-4-12(5-6-13-2)9-7(14-3)8(10)11-15-9/h4-6H2,1-3H3,(H2,10,11)
InChIKeyOOKCCIABKUNECB-UHFFFAOYSA-N
XLogP1.92
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103361471) is 5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CCN(CCOC)c1snc(N)c1SC.
What is the InChIKey of 5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is OOKCCIABKUNECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS2/c1-4-12(5-6-13-2)9-7(14-3)8(10)11-15-9/h4-6H2,1-3H3,(H2,10,11).
What are the key properties of 5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 247.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).