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

C13H23N3O2S2 — CID 103360972

IUPAC5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NC(C)C1CCCCC1
InChIInChI=1S/C13H23N3O2S2/c1-3-20(17,18)11-12(14)16-19-13(11)15-9(2)10-7-5-4-6-8-10/h9-10,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyAPZITBVTGWMCQO-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.90
Rot. Bonds5

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

5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103360972) has the molecular formula C13H23N3O2S2 and a molecular weight of 317.48 g/mol. Its IUPAC name is 5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103360972
Molecular FormulaC13H23N3O2S2
Molecular Weight317.48 g/mol
Exact Mass317.12
IUPAC Name5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NC(C)C1CCCCC1
InChIInChI=1S/C13H23N3O2S2/c1-3-20(17,18)11-12(14)16-19-13(11)15-9(2)10-7-5-4-6-8-10/h9-10,15H,3-8H2,1-2H3,(H2,14,16)
InChIKeyAPZITBVTGWMCQO-UHFFFAOYSA-N
XLogP2.90
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine (CID 103360972) is 5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NC(C)C1CCCCC1.
What is the InChIKey of 5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is APZITBVTGWMCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S2/c1-3-20(17,18)11-12(14)16-19-13(11)15-9(2)10-7-5-4-6-8-10/h9-10,15H,3-8H2,1-2H3,(H2,14,16).
What are the key properties of 5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 317.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).