N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide

C17H22N4O2S — CID 97095923

IUPACN-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
SMILESCC[C@@H](NC(=O)c1csnn1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H22N4O2S/c1-2-14(18-17(22)15-12-24-20-19-15)16-11-21(8-9-23-16)10-13-6-4-3-5-7-13/h3-7,12,14,16H,2,8-11H2,1H3,(H,18,22)/t14-,16+/m1/s1
InChIKeyRRPROMFRDPMORY-ZBFHGGJFSA-N
MW346.46 g/mol
LogP1.95
Rot. Bonds6

About N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide

N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide (PubChem CID 97095923) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
PubChem CID97095923
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC NameN-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
SMILESCC[C@@H](NC(=O)c1csnn1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H22N4O2S/c1-2-14(18-17(22)15-12-24-20-19-15)16-11-21(8-9-23-16)10-13-6-4-3-5-7-13/h3-7,12,14,16H,2,8-11H2,1H3,(H,18,22)/t14-,16+/m1/s1
InChIKeyRRPROMFRDPMORY-ZBFHGGJFSA-N
XLogP1.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
CID 96542255
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide
CID 96542270
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
CID 119900647
N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 124588230
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119900646
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 96542266
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 71917976
5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide
CID 120647819
N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 95981601
3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide
CID 120613507
6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide
CID 133364240

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide (CID 97095923) is N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide is CC[C@@H](NC(=O)c1csnn1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide?
The InChIKey is RRPROMFRDPMORY-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-2-14(18-17(22)15-12-24-20-19-15)16-11-21(8-9-23-16)10-13-6-4-3-5-7-13/h3-7,12,14,16H,2,8-11H2,1H3,(H,18,22)/t14-,16+/m1/s1.
What are the key properties of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide?
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 97095923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).