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

C13H16N4O2S2 — CID 97074965

IUPAC(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCc1nnc(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)s1
InChIInChI=1S/C13H16N4O2S2/c1-8-5-17(6-11(19-8)10-3-4-20-7-10)13(18)14-12-16-15-9(2)21-12/h3-4,7-8,11H,5-6H2,1-2H3,(H,14,16,18)/t8-,11+/m1/s1
InChIKeyZUUMVQWVYMDPFS-KCJUWKMLSA-N
MW324.43 g/mol
LogP2.90
Rot. Bonds2

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

(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide (PubChem CID 97074965) has the molecular formula C13H16N4O2S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is (2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
PubChem CID97074965
Molecular FormulaC13H16N4O2S2
Molecular Weight324.43 g/mol
Exact Mass324.07
IUPAC Name(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide
SMILESCc1nnc(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)s1
InChIInChI=1S/C13H16N4O2S2/c1-8-5-17(6-11(19-8)10-3-4-20-7-10)13(18)14-12-16-15-9(2)21-12/h3-4,7-8,11H,5-6H2,1-2H3,(H,14,16,18)/t8-,11+/m1/s1
InChIKeyZUUMVQWVYMDPFS-KCJUWKMLSA-N
XLogP2.90
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide (CID 97074965) is (2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide is Cc1nnc(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)s1.
What is the InChIKey of (2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide?
The InChIKey is ZUUMVQWVYMDPFS-KCJUWKMLSA-N. The full InChI is InChI=1S/C13H16N4O2S2/c1-8-5-17(6-11(19-8)10-3-4-20-7-10)13(18)14-12-16-15-9(2)21-12/h3-4,7-8,11H,5-6H2,1-2H3,(H,14,16,18)/t8-,11+/m1/s1.
What are the key properties of (2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide?
(2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-thiophen-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 97074965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).