N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide

C21H27N3O2S — CID 96542270

IUPACN-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide
SMILESCC[C@@H](NC(=O)c1csc(C2CC2)n1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H27N3O2S/c1-2-17(22-20(25)18-14-27-21(23-18)16-8-9-16)19-13-24(10-11-26-19)12-15-6-4-3-5-7-15/h3-7,14,16-17,19H,2,8-13H2,1H3,(H,22,25)/t17-,19+/m1/s1
InChIKeyOBRMORRWUBXCSX-MJGOQNOKSA-N
MW385.53 g/mol
LogP3.43
Rot. Bonds7

About N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide

N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide (PubChem CID 96542270) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide
PubChem CID96542270
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide
SMILESCC[C@@H](NC(=O)c1csc(C2CC2)n1)[C@@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C21H27N3O2S/c1-2-17(22-20(25)18-14-27-21(23-18)16-8-9-16)19-13-24(10-11-26-19)12-15-6-4-3-5-7-15/h3-7,14,16-17,19H,2,8-13H2,1H3,(H,22,25)/t17-,19+/m1/s1
InChIKeyOBRMORRWUBXCSX-MJGOQNOKSA-N
XLogP3.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
CID 97095923
2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
CID 96542255
(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
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
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
3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide
CID 120613507
N-(1-benzylpyrrolidin-3-yl)-2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3862421

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide (CID 96542270) is N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide is CC[C@@H](NC(=O)c1csc(C2CC2)n1)[C@@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide?
The InChIKey is OBRMORRWUBXCSX-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-2-17(22-20(25)18-14-27-21(23-18)16-8-9-16)19-13-24(10-11-26-19)12-15-6-4-3-5-7-15/h3-7,14,16-17,19H,2,8-13H2,1H3,(H,22,25)/t17-,19+/m1/s1.
What are the key properties of N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide?
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 96542270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).