1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine

C10H14N4O2S2 — CID 83217846

IUPAC1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine
SMILESCCS(=O)(=O)CCn1cc(N)c(-c2nccs2)n1
InChIInChI=1S/C10H14N4O2S2/c1-2-18(15,16)6-4-14-7-8(11)9(13-14)10-12-3-5-17-10/h3,5,7H,2,4,6,11H2,1H3
InChIKeyVSMZAWNTYSUTTL-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.02
Rot. Bonds5

About 1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine

1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine (PubChem CID 83217846) has the molecular formula C10H14N4O2S2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine
PubChem CID83217846
Molecular FormulaC10H14N4O2S2
Molecular Weight286.38 g/mol
Exact Mass286.06
IUPAC Name1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine
SMILESCCS(=O)(=O)CCn1cc(N)c(-c2nccs2)n1
InChIInChI=1S/C10H14N4O2S2/c1-2-18(15,16)6-4-14-7-8(11)9(13-14)10-12-3-5-17-10/h3,5,7H,2,4,6,11H2,1H3
InChIKeyVSMZAWNTYSUTTL-UHFFFAOYSA-N
XLogP1.02
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine?
The IUPAC name of 1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine (CID 83217846) is 1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine?
The canonical SMILES for 1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine is CCS(=O)(=O)CCn1cc(N)c(-c2nccs2)n1.
What is the InChIKey of 1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine?
The InChIKey is VSMZAWNTYSUTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2S2/c1-2-18(15,16)6-4-14-7-8(11)9(13-14)10-12-3-5-17-10/h3,5,7H,2,4,6,11H2,1H3.
What are the key properties of 1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine?
1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine has a molecular weight of 286.38 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylsulfonylethyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine is sourced from PubChem (CID 83217846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).