(2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide

C15H18N4O2S — CID 120936771

IUPAC(2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H18N4O2S/c1-10-13(16-7-8-21-10)14(20)17-9-12-18-19-15(22-12)11-5-3-2-4-6-11/h2-6,10,13,16H,7-9H2,1H3,(H,17,20)/t10-,13+/m1/s1
InChIKeyGIJRIYDWJCHJPH-MFKMUULPSA-N
MW318.40 g/mol
LogP1.20
Rot. Bonds4

About (2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide

(2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide (PubChem CID 120936771) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide
PubChem CID120936771
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCc1nnc(-c2ccccc2)s1
InChIInChI=1S/C15H18N4O2S/c1-10-13(16-7-8-21-10)14(20)17-9-12-18-19-15(22-12)11-5-3-2-4-6-11/h2-6,10,13,16H,7-9H2,1H3,(H,17,20)/t10-,13+/m1/s1
InChIKeyGIJRIYDWJCHJPH-MFKMUULPSA-N
XLogP1.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120918381
(2R,3S)-2-methyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]morpholine-3-carboxamide
CID 120931676
(2R,3S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920446
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-2-methyl-N-(5-phenyl-1,3-thiazol-2-yl)morpholine-3-carboxamide
CID 120923900
(2R,3S)-N-[2-(benzylsulfamoyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120924330
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-2-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]morpholine-3-carboxamide
CID 120941539
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide (CID 120936771) is (2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCc1nnc(-c2ccccc2)s1.
What is the InChIKey of (2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide?
The InChIKey is GIJRIYDWJCHJPH-MFKMUULPSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10-13(16-7-8-21-10)14(20)17-9-12-18-19-15(22-12)11-5-3-2-4-6-11/h2-6,10,13,16H,7-9H2,1H3,(H,17,20)/t10-,13+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]morpholine-3-carboxamide is sourced from PubChem (CID 120936771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).