1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone

C7H10N2O3S2 — CID 19835045

IUPAC1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone
SMILESCCS(=O)(=O)c1nc(N)c(C(C)=O)s1
InChIInChI=1S/C7H10N2O3S2/c1-3-14(11,12)7-9-6(8)5(13-7)4(2)10/h3,8H2,1-2H3
InChIKeyPEPQEKLLEDPTLB-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.72
Rot. Bonds3

About 1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone

1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone (PubChem CID 19835045) has the molecular formula C7H10N2O3S2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone
PubChem CID19835045
Molecular FormulaC7H10N2O3S2
Molecular Weight234.30 g/mol
Exact Mass234.01
IUPAC Name1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone
SMILESCCS(=O)(=O)c1nc(N)c(C(C)=O)s1
InChIInChI=1S/C7H10N2O3S2/c1-3-14(11,12)7-9-6(8)5(13-7)4(2)10/h3,8H2,1-2H3
InChIKeyPEPQEKLLEDPTLB-UHFFFAOYSA-N
XLogP0.72
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone (CID 19835045) is 1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone is CCS(=O)(=O)c1nc(N)c(C(C)=O)s1.
What is the InChIKey of 1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is PEPQEKLLEDPTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3S2/c1-3-14(11,12)7-9-6(8)5(13-7)4(2)10/h3,8H2,1-2H3.
What are the key properties of 1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone?
1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 234.30 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-ethylsulfonyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 19835045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).