(2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide

C13H16N4O3S2 — CID 125138480

IUPAC(2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCOc1nnc(NC(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)s1
InChIInChI=1S/C13H16N4O3S2/c1-8-5-17(6-10(20-8)9-3-4-21-7-9)12(18)14-11-15-16-13(19-2)22-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,14,15,18)/t8-,10-/m1/s1
InChIKeyVMXJIAPWHRQZBD-PSASIEDQSA-N
MW340.43 g/mol
LogP2.60
Rot. Bonds3

About (2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide

(2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 125138480) has the molecular formula C13H16N4O3S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID125138480
Molecular FormulaC13H16N4O3S2
Molecular Weight340.43 g/mol
Exact Mass340.07
IUPAC Name(2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCOc1nnc(NC(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)s1
InChIInChI=1S/C13H16N4O3S2/c1-8-5-17(6-10(20-8)9-3-4-21-7-9)12(18)14-11-15-16-13(19-2)22-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,14,15,18)/t8-,10-/m1/s1
InChIKeyVMXJIAPWHRQZBD-PSASIEDQSA-N
XLogP2.60
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97074965
1-(2-methyl-6-thiophen-3-ylmorpholin-4-yl)ethanone
CID 167980764
(2S,6S)-N-(2-cyclopropylpyrimidin-5-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97225798
(2S,6R)-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97093261
(2S,6R)-N-(1-ethyl-6-oxo-3-pyridinyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97060192
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851920
2-(methylamino)-1-[(2R,6R)-2-methyl-6-thiophen-3-ylmorpholin-4-yl]ethanone
CID 124686454
2-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919519
N-(furan-2-ylmethyl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71919520
(2S,6R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 97320853
(2S,6S)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide
CID 100876796
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6-thiophen-3-ylmorpholine-4-carboxamide
CID 71851940

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide (CID 125138480) is (2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide is COc1nnc(NC(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)s1.
What is the InChIKey of (2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is VMXJIAPWHRQZBD-PSASIEDQSA-N. The full InChI is InChI=1S/C13H16N4O3S2/c1-8-5-17(6-10(20-8)9-3-4-21-7-9)12(18)14-11-15-16-13(19-2)22-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,14,15,18)/t8-,10-/m1/s1.
What are the key properties of (2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide?
(2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-2-methyl-6-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 125138480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).