4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine

C9H17N3OS2 — CID 103384397

IUPAC4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCCC(C)SC
InChIInChI=1S/C9H17N3OS2/c1-6(14-3)4-5-11-9-7(13-2)8(10)12-15-9/h6,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeySVIXUDXPDOQWMR-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.29
Rot. Bonds6

About 4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine

4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine (PubChem CID 103384397) has the molecular formula C9H17N3OS2 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine
PubChem CID103384397
Molecular FormulaC9H17N3OS2
Molecular Weight247.39 g/mol
Exact Mass247.08
IUPAC Name4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1NCCC(C)SC
InChIInChI=1S/C9H17N3OS2/c1-6(14-3)4-5-11-9-7(13-2)8(10)12-15-9/h6,11H,4-5H2,1-3H3,(H2,10,12)
InChIKeySVIXUDXPDOQWMR-UHFFFAOYSA-N
XLogP2.29
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103379304
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
5-N-(3-methylsulfanylbutyl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349814
4-methoxy-5-N-[2-(1,3-thiazol-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103380162
5-N-(2-cyclopentylethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103383122
2-[2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]ethoxy]acetamide
CID 106242128
1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol
CID 103365683
4-methoxy-5-N-(2-thiophen-2-ylethyl)-1,2-thiazole-3,5-diamine
CID 103382595
methyl 3-amino-5-(3-methylbutylamino)-1,2-thiazole-4-carboxylate
CID 103382480
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641
4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine
CID 103363858

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine (CID 103384397) is 4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine is COc1c(N)nsc1NCCC(C)SC.
What is the InChIKey of 4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is SVIXUDXPDOQWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS2/c1-6(14-3)4-5-11-9-7(13-2)8(10)12-15-9/h6,11H,4-5H2,1-3H3,(H2,10,12).
What are the key properties of 4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103384397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).