(5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone

C8H10ClN3O2S — CID 107856527

IUPAC(5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H10ClN3O2S/c1-5-4-14-3-2-12(5)7(13)6-10-11-8(9)15-6/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyBHIXRJMRDOVLBM-RXMQYKEDSA-N
MW247.71 g/mol
LogP1.05
Rot. Bonds1

About (5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone

(5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone (PubChem CID 107856527) has the molecular formula C8H10ClN3O2S and a molecular weight of 247.71 g/mol. Its IUPAC name is (5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
PubChem CID107856527
Molecular FormulaC8H10ClN3O2S
Molecular Weight247.71 g/mol
Exact Mass247.02
IUPAC Name(5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
SMILESC[C@@H]1COCCN1C(=O)c1nnc(Cl)s1
InChIInChI=1S/C8H10ClN3O2S/c1-5-4-14-3-2-12(5)7(13)6-10-11-8(9)15-6/h5H,2-4H2,1H3/t5-/m1/s1
InChIKeyBHIXRJMRDOVLBM-RXMQYKEDSA-N
XLogP1.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.71
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-ethylmorpholine-3-carboxamide
CID 83098826
4-(5-chloro-1,3,4-thiadiazole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098612
(5-chloro-1,3,4-thiadiazol-2-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102778647
(4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94145769
(6-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 43429048
(4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 47174397
(5-bromo-2-chloro-3-pyridinyl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94334907
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94600145
2-azabicyclo[2.2.1]heptan-2-yl-(5-chloro-1,3,4-thiadiazol-2-yl)methanone
CID 80619310
(5-chloro-1,3,4-thiadiazol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 80625985
(4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 78862378
methyl 3-methylmorpholine-4-carboxylate
CID 110292243

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The IUPAC name of (5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone (CID 107856527) is (5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The canonical SMILES for (5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone is C[C@@H]1COCCN1C(=O)c1nnc(Cl)s1.
What is the InChIKey of (5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
The InChIKey is BHIXRJMRDOVLBM-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10ClN3O2S/c1-5-4-14-3-2-12(5)7(13)6-10-11-8(9)15-6/h5H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone?
(5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone has a molecular weight of 247.71 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 107856527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).