(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide

C15H18N4O2S — CID 97336828

IUPAC(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
SMILESCc1nnc(NC(=O)N2CCO[C@H](Cc3ccccc3)C2)s1
InChIInChI=1S/C15H18N4O2S/c1-11-17-18-14(22-11)16-15(20)19-7-8-21-13(10-19)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,18,20)/t13-/m1/s1
InChIKeyMSQVFLNZNPNENU-CYBMUJFWSA-N
MW318.40 g/mol
LogP2.32
Rot. Bonds3

About (2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide

(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide (PubChem CID 97336828) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is (2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
PubChem CID97336828
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
SMILESCc1nnc(NC(=O)N2CCO[C@H](Cc3ccccc3)C2)s1
InChIInChI=1S/C15H18N4O2S/c1-11-17-18-14(22-11)16-15(20)19-7-8-21-13(10-19)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,18,20)/t13-/m1/s1
InChIKeyMSQVFLNZNPNENU-CYBMUJFWSA-N
XLogP2.32
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-benzyl-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]morpholine-4-carboxamide
CID 99819549
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 75445414
2-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 134584705
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone
CID 168940338
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 84596460
2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
CID 84596388
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
(2-benzylmorpholin-4-yl)-(5-chlorothiophen-2-yl)methanone
CID 71801610

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of (2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide (CID 97336828) is (2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide is Cc1nnc(NC(=O)N2CCO[C@H](Cc3ccccc3)C2)s1.
What is the InChIKey of (2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is MSQVFLNZNPNENU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-11-17-18-14(22-11)16-15(20)19-7-8-21-13(10-19)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide?
(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 97336828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).