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

C11H19N3O2S2 — CID 103365719

IUPAC5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCCCC1CC1
InChIInChI=1S/C11H19N3O2S2/c1-2-18(15,16)9-10(12)14-17-11(9)13-7-3-4-8-5-6-8/h8,13H,2-7H2,1H3,(H2,12,14)
InChIKeyUQLSXJICPYUCLI-UHFFFAOYSA-N
MW289.43 g/mol
LogP2.12
Rot. Bonds7

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

5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103365719) has the molecular formula C11H19N3O2S2 and a molecular weight of 289.43 g/mol. Its IUPAC name is 5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103365719
Molecular FormulaC11H19N3O2S2
Molecular Weight289.43 g/mol
Exact Mass289.09
IUPAC Name5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NCCCC1CC1
InChIInChI=1S/C11H19N3O2S2/c1-2-18(15,16)9-10(12)14-17-11(9)13-7-3-4-8-5-6-8/h8,13H,2-7H2,1H3,(H2,12,14)
InChIKeyUQLSXJICPYUCLI-UHFFFAOYSA-N
XLogP2.12
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethylsulfonyl-5-N-[(4-methylcyclohexyl)methyl]-1,2-thiazole-3,5-diamine
CID 103361172
4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine
CID 103365343
ethyl 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carboxylate
CID 103384598
4-ethylsulfonyl-5-N-(thiolan-3-ylmethyl)-1,2-thiazole-3,5-diamine
CID 107299141
5-N-butyl-4-cyclopropylsulfonyl-1,2-thiazole-3,5-diamine
CID 103349511
5-N-but-3-enyl-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365459
5-N-[2-(azepan-1-yl)ethyl]-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359429
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
ethyl 3-amino-5-(3-cyclopentylpropylamino)-1,2-thiazole-4-carboxylate
CID 106015648
3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carbonitrile
CID 103384602
3-amino-5-(2-cyclohexylethylamino)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103364216

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine (CID 103365719) is 5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NCCCC1CC1.
What is the InChIKey of 5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is UQLSXJICPYUCLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S2/c1-2-18(15,16)9-10(12)14-17-11(9)13-7-3-4-8-5-6-8/h8,13H,2-7H2,1H3,(H2,12,14).
What are the key properties of 5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 289.43 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).