(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone

C11H17N3O3S3 — CID 66377756

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1sc(N)nc1C
InChIInChI=1S/C11H17N3O3S3/c1-3-20(16,17)8-6-18-5-4-14(8)10(15)9-7(2)13-11(12)19-9/h8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyUDAUPWGXZCTHMW-UHFFFAOYSA-N
MW335.48 g/mol
LogP0.98
Rot. Bonds3

About (2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone

(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone (PubChem CID 66377756) has the molecular formula C11H17N3O3S3 and a molecular weight of 335.48 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
PubChem CID66377756
Molecular FormulaC11H17N3O3S3
Molecular Weight335.48 g/mol
Exact Mass335.04
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone
SMILESCCS(=O)(=O)C1CSCCN1C(=O)c1sc(N)nc1C
InChIInChI=1S/C11H17N3O3S3/c1-3-20(16,17)8-6-18-5-4-14(8)10(15)9-7(2)13-11(12)19-9/h8H,3-6H2,1-2H3,(H2,12,13)
InChIKeyUDAUPWGXZCTHMW-UHFFFAOYSA-N
XLogP0.98
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone (CID 66377756) is (2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone is CCS(=O)(=O)C1CSCCN1C(=O)c1sc(N)nc1C.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
The InChIKey is UDAUPWGXZCTHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S3/c1-3-20(16,17)8-6-18-5-4-14(8)10(15)9-7(2)13-11(12)19-9/h8H,3-6H2,1-2H3,(H2,12,13).
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone has a molecular weight of 335.48 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-(3-ethylsulfonylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 66377756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).