(4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone

C14H15N3O2S — CID 51895185

IUPAC(4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
SMILESCc1nnsc1C(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C14H15N3O2S/c1-10-13(20-16-15-10)14(18)17-7-8-19-12(9-17)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3/t12-/m0/s1
InChIKeyQDERYAKSTOEMCM-LBPRGKRZSA-N
MW289.36 g/mol
LogP2.06
Rot. Bonds2

About (4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone

(4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone (PubChem CID 51895185) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is (4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
PubChem CID51895185
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name(4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone
SMILESCc1nnsc1C(=O)N1CCO[C@H](c2ccccc2)C1
InChIInChI=1S/C14H15N3O2S/c1-10-13(20-16-15-10)14(18)17-7-8-19-12(9-17)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3/t12-/m0/s1
InChIKeyQDERYAKSTOEMCM-LBPRGKRZSA-N
XLogP2.06
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
The IUPAC name of (4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone (CID 51895185) is (4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone.
What is the SMILES notation for (4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
The canonical SMILES for (4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone is Cc1nnsc1C(=O)N1CCO[C@H](c2ccccc2)C1.
What is the InChIKey of (4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
The InChIKey is QDERYAKSTOEMCM-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-13(20-16-15-10)14(18)17-7-8-19-12(9-17)11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3/t12-/m0/s1.
What are the key properties of (4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone?
(4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone has a molecular weight of 289.36 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiadiazol-5-yl)-[(2R)-2-phenylmorpholin-4-yl]methanone is sourced from PubChem (CID 51895185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).