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

C12H22N4O2S2 — CID 103359345

IUPAC5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCN1CCC(Nc2snc(N)c2S(=O)(=O)CC)CC1
InChIInChI=1S/C12H22N4O2S2/c1-3-16-7-5-9(6-8-16)14-12-10(11(13)15-19-12)20(17,18)4-2/h9,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyQXNPHKOUYBITAZ-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.42
Rot. Bonds5

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

5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine (PubChem CID 103359345) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
PubChem CID103359345
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
SMILESCCN1CCC(Nc2snc(N)c2S(=O)(=O)CC)CC1
InChIInChI=1S/C12H22N4O2S2/c1-3-16-7-5-9(6-8-16)14-12-10(11(13)15-19-12)20(17,18)4-2/h9,14H,3-8H2,1-2H3,(H2,13,15)
InChIKeyQXNPHKOUYBITAZ-UHFFFAOYSA-N
XLogP1.42
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-N-(3-ethylcyclohexyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359765
4-ethylsulfonyl-5-N-(2-methylcyclopropyl)-1,2-thiazole-3,5-diamine
CID 103360963
4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103363369
4-ethylsulfonyl-5-N-piperidin-1-yl-1,2-thiazole-3,5-diamine
CID 103364864
4-ethoxy-5-N-(1-propylpiperidin-4-yl)-1,2-thiazole-3,5-diamine
CID 103360114
5-N-[2-(azepan-1-yl)ethyl]-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103359429
5-N-(1-cyclohexylethyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103360972
4-ethylsulfonyl-5-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 106029236
4-ethylsulfonyl-5-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2-thiazole-3,5-diamine
CID 103364621
5-N-(3-cyclopropylpropyl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine
CID 103365719
4-ethylsulfonyl-5-N-[(4-methylcyclohexyl)methyl]-1,2-thiazole-3,5-diamine
CID 103361172
4-ethoxy-5-N-(1-ethylpiperidin-3-yl)-1,2-thiazole-3,5-diamine
CID 103359375

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine (CID 103359345) is 5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine is CCN1CCC(Nc2snc(N)c2S(=O)(=O)CC)CC1.
What is the InChIKey of 5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
The InChIKey is QXNPHKOUYBITAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-3-16-7-5-9(6-8-16)14-12-10(11(13)15-19-12)20(17,18)4-2/h9,14H,3-8H2,1-2H3,(H2,13,15).
What are the key properties of 5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine?
5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine has a molecular weight of 318.47 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-ethylpiperidin-4-yl)-4-ethylsulfonyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).