1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone

C10H14N2OS2 — CID 103595434

IUPAC1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCN1CCSCC1C(=O)Cc1nccs1
InChIInChI=1S/C10H14N2OS2/c1-12-3-5-14-7-8(12)9(13)6-10-11-2-4-15-10/h2,4,8H,3,5-7H2,1H3
InChIKeyYXDKPTVRQLATSU-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.30
Rot. Bonds3

About 1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone

1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 103595434) has the molecular formula C10H14N2OS2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID103595434
Molecular FormulaC10H14N2OS2
Molecular Weight242.37 g/mol
Exact Mass242.05
IUPAC Name1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCN1CCSCC1C(=O)Cc1nccs1
InChIInChI=1S/C10H14N2OS2/c1-12-3-5-14-7-8(12)9(13)6-10-11-2-4-15-10/h2,4,8H,3,5-7H2,1H3
InChIKeyYXDKPTVRQLATSU-UHFFFAOYSA-N
XLogP1.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Propionylthiazole
CID 65288
[2-(dimethylcarbamothioylsulfanylmethyl)-3-oxo-3-(1,3-thiazol-2-yl)propyl] N,N-dimethylcarbamodithioate
CID 73388875
2-Butanoyl-thiazole
CID 22291405
1-Propanone, 3-(dimethylamino)-1-(2-thiazolyl)-, hydrochloride
CID 214599
1-Butanone, 4-piperidino-1-(2-thiazolyl)-, hydrobromide
CID 214603
2-(4,5-Dihydro-1,3-thiazol-2-yl)-1-(1,3-thiazol-2-yl)ethan-1-one
CID 23644661
(2S)-2-amino-4-(methylsulfanyl)-1-(1,3-thiazol-2-yl)butan-1-one
CID 23644717
2-Amino-4-methylsulfanyl-1-(1,3-thiazol-2-yl)butan-1-one
CID 10059183
2-[Cyclopropyl(methyl)amino]-1-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 72122391
3,3-Dimethyl-1-(1,3-thiazol-2-yl)butan-2-one
CID 13597314
3-[Methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]-1-piperidin-1-ylpropan-1-one
CID 75431807
2-Fluoro-1-(1,3-thiazol-2-yl)butan-1-one
CID 58297584

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone (CID 103595434) is 1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone is CN1CCSCC1C(=O)Cc1nccs1.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is YXDKPTVRQLATSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2/c1-12-3-5-14-7-8(12)9(13)6-10-11-2-4-15-10/h2,4,8H,3,5-7H2,1H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone?
1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 242.37 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 103595434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).