5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine

C12H21N3O3S2 — CID 103360778

IUPAC5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCN(CC1CCCO1)c1snc(N)c1S(=O)(=O)CC
InChIInChI=1S/C12H21N3O3S2/c1-3-15(8-9-6-5-7-18-9)12-10(11(13)14-19-12)20(16,17)4-2/h9H,3-8H2,1-2H3,(H2,13,14)
InChIKeyLJMRMELYAHQFMS-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.52
Rot. Bonds6

About 5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine

5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360778) has the molecular formula C12H21N3O3S2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360778
Molecular FormulaC12H21N3O3S2
Molecular Weight319.45 g/mol
Exact Mass319.10
IUPAC Name5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCCN(CC1CCCO1)c1snc(N)c1S(=O)(=O)CC
InChIInChI=1S/C12H21N3O3S2/c1-3-15(8-9-6-5-7-18-9)12-10(11(13)14-19-12)20(16,17)4-2/h9H,3-8H2,1-2H3,(H2,13,14)
InChIKeyLJMRMELYAHQFMS-UHFFFAOYSA-N
XLogP1.52
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N,N-dimethyl-5-[methyl(oxolan-2-ylmethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103361342
5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360754
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
CID 103360672
4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380334
4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103364012
ethyl 3-amino-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379749
3-N-ethyl-3-N-(oxolan-2-ylmethyl)pyridine-2,3-diamine
CID 104540056
3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380335
6-N-ethyl-6-N-(oxolan-2-ylmethyl)pyridine-2,6-diamine
CID 80646622
4-N,2-diethyl-5-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80987253
methyl 3-amino-5-[ethyl(oxolan-2-ylmethyl)amino]-4-methylsulfanylthiophene-2-carboxylate
CID 103509868
5-N,5-N-dipropyl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362220

Frequently Asked Questions

What is the IUPAC name of 5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103360778) is 5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine is CCN(CC1CCCO1)c1snc(N)c1S(=O)(=O)CC.
What is the InChIKey of 5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is LJMRMELYAHQFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S2/c1-3-15(8-9-6-5-7-18-9)12-10(11(13)14-19-12)20(16,17)4-2/h9H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine?
5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 319.45 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).