5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine

C10H19N3OS — CID 103362406

IUPAC5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCCCN(C)c1snc(N)c1OCC
InChIInChI=1S/C10H19N3OS/c1-4-6-7-13(3)10-8(14-5-2)9(11)12-15-10/h4-7H2,1-3H3,(H2,11,12)
InChIKeyCINDAFYLTQOUOV-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.36
Rot. Bonds6

About 5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine

5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103362406) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103362406
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCCCCN(C)c1snc(N)c1OCC
InChIInChI=1S/C10H19N3OS/c1-4-6-7-13(3)10-8(14-5-2)9(11)12-15-10/h4-7H2,1-3H3,(H2,11,12)
InChIKeyCINDAFYLTQOUOV-UHFFFAOYSA-N
XLogP2.36
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]ethanol
CID 103360625
4-ethoxy-5-N-(2-ethoxyethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103364467
5-N-(2,2-difluoroethyl)-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365691
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-N,N-diethylacetamide
CID 103361605
5-N-[3-(diethylamino)propyl]-4-ethoxy-5-N-ethyl-1,2-thiazole-3,5-diamine
CID 103366005
5-N-(2-ethoxyethyl)-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103383373
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)-methylamino]-2-methylpropan-1-ol
CID 103365425
5-N-[(3-chlorophenyl)methyl]-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103360798
5-N-cyclohexyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103362232
4-ethoxy-5-N-[(2-fluorophenyl)methyl]-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361504
4-ethoxy-5-N-methyl-5-N-(1-methylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103362242
3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide
CID 103362628

Frequently Asked Questions

What is the IUPAC name of 5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103362406) is 5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine is CCCCN(C)c1snc(N)c1OCC.
What is the InChIKey of 5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is CINDAFYLTQOUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-6-7-13(3)10-8(14-5-2)9(11)12-15-10/h4-7H2,1-3H3,(H2,11,12).
What are the key properties of 5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine?
5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 229.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-4-ethoxy-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103362406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).