4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine

C10H19N3O3S2 — CID 103359730

IUPAC4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NC(C)CCOC
InChIInChI=1S/C10H19N3O3S2/c1-4-18(14,15)8-9(11)13-17-10(8)12-7(2)5-6-16-3/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeySNZBZVBRLWEFQL-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.36
Rot. Bonds7

About 4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine

4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 103359730) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID103359730
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC Name4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NC(C)CCOC
InChIInChI=1S/C10H19N3O3S2/c1-4-18(14,15)8-9(11)13-17-10(8)12-7(2)5-6-16-3/h7,12H,4-6H2,1-3H3,(H2,11,13)
InChIKeySNZBZVBRLWEFQL-UHFFFAOYSA-N
XLogP1.36
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethylsulfonyl-5-N-(1-methoxy-3-methylbutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359815
5-N-(1-methoxypropan-2-yl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103363481
4-ethylsulfonyl-5-N-(1-piperidin-1-ylpropan-2-yl)-1,2-thiazole-3,5-diamine
CID 103360047
4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103363369
4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103363342
4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine
CID 103365343
5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360972
5-N-(4-methoxybutan-2-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine
CID 103378757
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide
CID 103365050
5-N-[1-(diethylamino)propan-2-yl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360387
4-ethylsulfonyl-5-N-(2-methyl-1-thiophen-2-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103360127
4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103364012

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine (CID 103359730) is 4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NC(C)CCOC.
What is the InChIKey of 4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is SNZBZVBRLWEFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-4-18(14,15)8-9(11)13-17-10(8)12-7(2)5-6-16-3/h7,12H,4-6H2,1-3H3,(H2,11,13).
What are the key properties of 4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 293.41 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).