4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine

C12H23N3O4S2 — CID 103365343

IUPAC4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCCCCOCCOC
InChIInChI=1S/C12H23N3O4S2/c1-3-21(16,17)10-11(13)15-20-12(10)14-6-4-5-7-19-9-8-18-2/h14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyFUXMRYXYIHKXSF-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.37
Rot. Bonds11

About 4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine

4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine (PubChem CID 103365343) has the molecular formula C12H23N3O4S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine
PubChem CID103365343
Molecular FormulaC12H23N3O4S2
Molecular Weight337.47 g/mol
Exact Mass337.11
IUPAC Name4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCCCCOCCOC
InChIInChI=1S/C12H23N3O4S2/c1-3-21(16,17)10-11(13)15-20-12(10)14-6-4-5-7-19-9-8-18-2/h14H,3-9H2,1-2H3,(H2,13,15)
InChIKeyFUXMRYXYIHKXSF-UHFFFAOYSA-N
XLogP1.37
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365719
5-N-(2-but-3-enoxyethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 106412790
4-ethylsulfonyl-5-N-(4-imidazol-1-ylbutyl)-1,2-thiazole-3,5-diamine
CID 103360335
5-N-but-3-enyl-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365459
4-ethylsulfonyl-5-N-(4-methoxybutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359730
5-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103361069
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-(1-methoxy-3-methylbutan-2-yl)-1,2-thiazole-3,5-diamine
CID 103359815
4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103379304
4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine
CID 103363858
5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349511

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine (CID 103365343) is 4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NCCCCOCCOC.
What is the InChIKey of 4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine?
The InChIKey is FUXMRYXYIHKXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O4S2/c1-3-21(16,17)10-11(13)15-20-12(10)14-6-4-5-7-19-9-8-18-2/h14H,3-9H2,1-2H3,(H2,13,15).
What are the key properties of 4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine has a molecular weight of 337.47 g/mol, XLogP of 1.37, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).