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

C17H21N3O2S — CID 95981601

IUPACN-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cscn1)[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H21N3O2S/c1-13(19-17(21)15-11-23-12-18-15)16-10-20(7-8-22-16)9-14-5-3-2-4-6-14/h2-6,11-13,16H,7-10H2,1H3,(H,19,21)/t13-,16+/m0/s1
InChIKeyISADMINUDHCFNR-XJKSGUPXSA-N
MW331.44 g/mol
LogP2.16
Rot. Bonds5

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

N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 95981601) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID95981601
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cscn1)[C@H]1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C17H21N3O2S/c1-13(19-17(21)15-11-23-12-18-15)16-10-20(7-8-22-16)9-14-5-3-2-4-6-14/h2-6,11-13,16H,7-10H2,1H3,(H,19,21)/t13-,16+/m0/s1
InChIKeyISADMINUDHCFNR-XJKSGUPXSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]thiadiazole-5-carboxamide
CID 95981592
N-[(1R)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 95775940
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981588
N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981589
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
CID 97095923
N-(1-benzylpiperidin-3-yl)-1,3-thiazole-4-carboxamide
CID 63235597
1-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 96835180
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide
CID 96542270
2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
CID 96542255
(1S)-1-[(2S)-4-benzylmorpholin-2-yl]ethanamine
CID 95396414
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119900646

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide (CID 95981601) is N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide is C[C@H](NC(=O)c1cscn1)[C@H]1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ISADMINUDHCFNR-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-13(19-17(21)15-11-23-12-18-15)16-10-20(7-8-22-16)9-14-5-3-2-4-6-14/h2-6,11-13,16H,7-10H2,1H3,(H,19,21)/t13-,16+/m0/s1.
What are the key properties of N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide?
N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 95981601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).