5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine

C10H19N3O4S2 — CID 103380711

IUPAC5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCOCCN(CCOC)c1snc(N)c1S(C)(=O)=O
InChIInChI=1S/C10H19N3O4S2/c1-16-6-4-13(5-7-17-2)10-8(19(3,14)15)9(11)12-18-10/h4-7H2,1-3H3,(H2,11,12)
InChIKeyOLFXCWLBVYLYGV-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.23
Rot. Bonds8

About 5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine

5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103380711) has the molecular formula C10H19N3O4S2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103380711
Molecular FormulaC10H19N3O4S2
Molecular Weight309.41 g/mol
Exact Mass309.08
IUPAC Name5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCOCCN(CCOC)c1snc(N)c1S(C)(=O)=O
InChIInChI=1S/C10H19N3O4S2/c1-16-6-4-13(5-7-17-2)10-8(19(3,14)15)9(11)12-18-10/h4-7H2,1-3H3,(H2,11,12)
InChIKeyOLFXCWLBVYLYGV-UHFFFAOYSA-N
XLogP0.23
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103381909
5-N-(2-methoxyethyl)-5-N-(2-methylpropyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360766
5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103381332
5-N-ethyl-5-N-(2-methoxyethyl)-4-methylsulfanyl-1,2-thiazole-3,5-diamine
CID 103361471
5-N-(2-methoxyethyl)-4-methyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103360763
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
CID 103360672
5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362220
3-amino-5-[2-ethoxyethyl(ethyl)amino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103362965
3-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380390
5-N,5-N-bis(2-methoxyethyl)-4-pyridin-4-yl-1,2-thiazole-3,5-diamine
CID 103361733
1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol
CID 103381593
2-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol
CID 103384035

Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine (CID 103380711) is 5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is COCCN(CCOC)c1snc(N)c1S(C)(=O)=O.
What is the InChIKey of 5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is OLFXCWLBVYLYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4S2/c1-16-6-4-13(5-7-17-2)10-8(19(3,14)15)9(11)12-18-10/h4-7H2,1-3H3,(H2,11,12).
What are the key properties of 5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine?
5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 309.41 g/mol, XLogP of 0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103380711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).