4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine

C11H19N3O3S2 — CID 103364012

IUPAC4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NC(C)C1CCCO1
InChIInChI=1S/C11H19N3O3S2/c1-3-19(15,16)9-10(12)14-18-11(9)13-7(2)8-5-4-6-17-8/h7-8,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyRUSBCKYYKGGDHG-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.50
Rot. Bonds5

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

4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine (PubChem CID 103364012) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
PubChem CID103364012
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NC(C)C1CCCO1
InChIInChI=1S/C11H19N3O3S2/c1-3-19(15,16)9-10(12)14-18-11(9)13-7(2)8-5-4-6-17-8/h7-8,13H,3-6H2,1-2H3,(H2,12,14)
InChIKeyRUSBCKYYKGGDHG-UHFFFAOYSA-N
XLogP1.50
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360972
4-methoxy-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103382934
5-N-(1-cyclobutylethyl)-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365777
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
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)amino]-N-(2-methylpropyl)propanamide
CID 103365050
4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103363342
4-ethylsulfonyl-5-N-(1-methoxy-3-methylbutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359815
3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 79376229
4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103360963
5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360778
4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
CID 103364864

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine (CID 103364012) is 4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NC(C)C1CCCO1.
What is the InChIKey of 4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine?
The InChIKey is RUSBCKYYKGGDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-3-19(15,16)9-10(12)14-18-11(9)13-7(2)8-5-4-6-17-8/h7-8,13H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of 4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine has a molecular weight of 305.43 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).