(2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid

C19H21N3O5S — CID 122194915

IUPAC(2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESO=C(N[C@H](CCC(=O)N1CCOCC1)C(=O)O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H21N3O5S/c23-16(22-8-10-27-11-9-22)7-6-14(19(25)26)20-17(24)15-12-28-18(21-15)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,20,24)(H,25,26)/t14-/m1/s1
InChIKeyKZBJWZKYLYGSGR-CQSZACIVSA-N
MW403.46 g/mol
LogP1.63
Rot. Bonds7

About (2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid

(2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (PubChem CID 122194915) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is (2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
PubChem CID122194915
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC Name(2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
SMILESO=C(N[C@H](CCC(=O)N1CCOCC1)C(=O)O)c1csc(-c2ccccc2)n1
InChIInChI=1S/C19H21N3O5S/c23-16(22-8-10-27-11-9-22)7-6-14(19(25)26)20-17(24)15-12-28-18(21-15)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,20,24)(H,25,26)/t14-/m1/s1
InChIKeyKZBJWZKYLYGSGR-CQSZACIVSA-N
XLogP1.63
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-3-sulfanylpropanoic acid
CID 71417855
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18157145
(2R)-4-methyl-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid
CID 92928991
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
N-[(2S)-3-hydroxy-1-oxo-1-piperazin-1-ylpropan-2-yl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 141278807
2-(oxan-3-yl)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 120548981
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(2R)-4-phenylbutan-2-yl]-1,3-thiazole-4-carboxamide
CID 95089020
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9150618
2-(4-morpholin-4-ylphenyl)-1,3-thiazole-4-carbohydrazide
CID 67450045
N-ethyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 17398194
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 16564184
2-(2-morpholin-4-yl-4-pyridinyl)-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 95089018

Frequently Asked Questions

What is the IUPAC name of (2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid (CID 122194915) is (2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is O=C(N[C@H](CCC(=O)N1CCOCC1)C(=O)O)c1csc(-c2ccccc2)n1.
What is the InChIKey of (2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is KZBJWZKYLYGSGR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21N3O5S/c23-16(22-8-10-27-11-9-22)7-6-14(19(25)26)20-17(24)15-12-28-18(21-15)13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,20,24)(H,25,26)/t14-/m1/s1.
What are the key properties of (2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid?
(2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 403.46 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-morpholin-4-yl-5-oxo-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 122194915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).