4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine

C10H18N4O2S2 — CID 103364864

IUPAC4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NN1CCCCC1
InChIInChI=1S/C10H18N4O2S2/c1-2-18(15,16)8-9(11)13-17-10(8)12-14-6-4-3-5-7-14/h12H,2-7H2,1H3,(H2,11,13)
InChIKeyRNGBLYCJKMLQOA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.33
Rot. Bonds4

About 4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine

4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine (PubChem CID 103364864) has the molecular formula C10H18N4O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
PubChem CID103364864
Molecular FormulaC10H18N4O2S2
Molecular Weight290.41 g/mol
Exact Mass290.09
IUPAC Name4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
SMILESCCS(=O)(=O)c1c(N)nsc1NN1CCCCC1
InChIInChI=1S/C10H18N4O2S2/c1-2-18(15,16)8-9(11)13-17-10(8)12-14-6-4-3-5-7-14/h12H,2-7H2,1H3,(H2,11,13)
InChIKeyRNGBLYCJKMLQOA-UHFFFAOYSA-N
XLogP1.33
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-[2-(azepan-1-yl)ethyl]-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359429
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
ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate
CID 103383769
5-N-(4-methylpiperazin-1-yl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383777
4-ethylsulfonyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 106029236
5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359345
5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360972
4-methoxy-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
CID 103383775
4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103360963
4-ethylsulfonyl-5-N-(2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103363342
4-ethylsulfonyl-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364732

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine (CID 103364864) is 4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine is CCS(=O)(=O)c1c(N)nsc1NN1CCCCC1.
What is the InChIKey of 4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine?
The InChIKey is RNGBLYCJKMLQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S2/c1-2-18(15,16)8-9(11)13-17-10(8)12-14-6-4-3-5-7-14/h12H,2-7H2,1H3,(H2,11,13).
What are the key properties of 4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine?
4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine has a molecular weight of 290.41 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).