(2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone

C9H13N3O2S — CID 47351602

IUPAC(2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESCC1CN(C(=O)c2cnsn2)C(C)CO1
InChIInChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3
InChIKeyIKMQGCCZPWFVJE-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.79
Rot. Bonds1

About (2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone

(2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone (PubChem CID 47351602) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is (2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone
PubChem CID47351602
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name(2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone
SMILESCC1CN(C(=O)c2cnsn2)C(C)CO1
InChIInChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3
InChIKeyIKMQGCCZPWFVJE-UHFFFAOYSA-N
XLogP0.79
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(1,2,5-thiadiazol-3-ylcarbonyl)-1-piperazinecarboxylate
CID 900727
[(2R,5S)-2,5-dimethylmorpholin-4-yl](1,2,5-thiadiazol-3-yl)methanone
CID 94200535
2,3,4a,5,6,7,8,8a-Octahydrobenzo[b][1,4]oxazin-4-yl(1,2,5-thiadiazol-3-yl)methanone
CID 47353352
1-Cyclopropyl-4-(1,2,5-thiadiazole-3-carbonyl)piperazin-2-one
CID 71924820
N-ethyl-N-(2-morpholin-4-ylethyl)-1H-1,2,3-triazole-5-carboxamide
CID 74241678
2H-triazol-4-yl-[(3S)-2,2,3-trimethylmorpholin-4-yl]methanone
CID 164643088
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 94200533
N-(2-methoxyethyl)-1,2,5-thiadiazole-3-carboxamide
CID 1578973
[4-(2-Hydroxyethyl)piperazin-1-yl]-(1,2,5-thiadiazol-3-yl)methanone
CID 43522596
(4-Hydroxypiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 43522597
(3-Hydroxypiperidin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 43522598
N-(2-hydroxyethyl)-N-propan-2-yl-1,2,5-thiadiazole-3-carboxamide
CID 43573812

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The IUPAC name of (2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone (CID 47351602) is (2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone.
What is the SMILES notation for (2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The canonical SMILES for (2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone is CC1CN(C(=O)c2cnsn2)C(C)CO1.
What is the InChIKey of (2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone?
The InChIKey is IKMQGCCZPWFVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-5-14-7(2)4-12(6)9(13)8-3-10-15-11-8/h3,6-7H,4-5H2,1-2H3.
What are the key properties of (2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone?
(2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone has a molecular weight of 227.29 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylmorpholin-4-yl)-(1,2,5-thiadiazol-3-yl)methanone is sourced from PubChem (CID 47351602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).