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

C19H18N4O2S — CID 97201689

IUPAC(2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H18N4O2S/c24-19(21-18-20-17(22-26-18)15-9-5-2-6-10-15)23-11-12-25-16(13-23)14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,21,22,24)/t16-/m1/s1
InChIKeyGZCOJQMOCACQTL-MRXNPFEDSA-N
MW366.45 g/mol
LogP3.81
Rot. Bonds3

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

(2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide (PubChem CID 97201689) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
PubChem CID97201689
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name(2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)ns1)N1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H18N4O2S/c24-19(21-18-20-17(22-26-18)15-9-5-2-6-10-15)23-11-12-25-16(13-23)14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,21,22,24)/t16-/m1/s1
InChIKeyGZCOJQMOCACQTL-MRXNPFEDSA-N
XLogP3.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
CID 48739001
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
(3S,4S)-1-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122076891
N-(1-methyl-2-oxo-3-pyridinyl)-2-phenylmorpholine-4-carboxamide
CID 71992056
N-(4-ethylphenyl)-2-phenylmorpholine-4-carboxamide
CID 84526380
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-2-phenylmorpholine-4-carboxamide
CID 124614069
[(2S)-oxolan-2-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 51710322
morpholin-4-yl-(2-phenylmorpholin-4-yl)methanone
CID 110291317
1-phenyl-3-[4-(2-phenylmorpholine-4-carbonyl)phenyl]urea
CID 71898747
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
N-[4-(2-phenylmorpholine-4-carbonyl)phenyl]benzamide
CID 42944919

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide?
The IUPAC name of (2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide (CID 97201689) is (2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide is O=C(Nc1nc(-c2ccccc2)ns1)N1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of (2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide?
The InChIKey is GZCOJQMOCACQTL-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-19(21-18-20-17(22-26-18)15-9-5-2-6-10-15)23-11-12-25-16(13-23)14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,20,21,22,24)/t16-/m1/s1.
What are the key properties of (2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide?
(2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide has a molecular weight of 366.45 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide is sourced from PubChem (CID 97201689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).