4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine

C12H22N4O2S2 — CID 103360501

IUPAC4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
SMILESCCS(=O)(=O)c1c(N)nsc1N1CCN(C(C)C)CC1
InChIInChI=1S/C12H22N4O2S2/c1-4-20(17,18)10-11(13)14-19-12(10)16-7-5-15(6-8-16)9(2)3/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyGQWIBDYTOGSTKO-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.05
Rot. Bonds4

About 4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine

4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103360501) has the molecular formula C12H22N4O2S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
PubChem CID103360501
Molecular FormulaC12H22N4O2S2
Molecular Weight318.47 g/mol
Exact Mass318.12
IUPAC Name4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine
SMILESCCS(=O)(=O)c1c(N)nsc1N1CCN(C(C)C)CC1
InChIInChI=1S/C12H22N4O2S2/c1-4-20(17,18)10-11(13)14-19-12(10)16-7-5-15(6-8-16)9(2)3/h9H,4-8H2,1-3H3,(H2,13,14)
InChIKeyGQWIBDYTOGSTKO-UHFFFAOYSA-N
XLogP1.05
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103362141
5-[4-(2-methylpropyl)piperazin-1-yl]-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381614
4-ethylsulfonyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1,2-thiazol-3-amine
CID 103359106
4-(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103365809
4-ethylsulfonyl-5-(2-ethylthiomorpholin-4-yl)-1,2-thiazol-3-amine
CID 103365542
4-ethylsulfonyl-5-(3-methoxypiperidin-1-yl)-1,2-thiazol-3-amine
CID 103365873
4-methylsulfonyl-5-(4-propan-2-ylazepan-1-yl)-1,2-thiazol-3-amine
CID 103382069
4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349182
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-ethylsulfonyl-1,2-thiazol-3-amine
CID 103364823
5-(4,4-dimethylpiperidin-1-yl)-4-methylsulfonyl-1,2-thiazol-3-amine
CID 103381662
4-methylsulfonyl-5-(4-propylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103380926
5-(1,3-dihydroisoindol-2-yl)-4-propylsulfonyl-1,2-thiazol-3-amine
CID 103361947

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine (CID 103360501) is 4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine is CCS(=O)(=O)c1c(N)nsc1N1CCN(C(C)C)CC1.
What is the InChIKey of 4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is GQWIBDYTOGSTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S2/c1-4-20(17,18)10-11(13)14-19-12(10)16-7-5-15(6-8-16)9(2)3/h9H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine?
4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 318.47 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-5-(4-propan-2-ylpiperazin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103360501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).