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

C20H18N2O3S — CID 2039739

IUPAC(3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESO=C(O)C[C@@H](CC(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C20H18N2O3S/c23-18(11-16(12-19(24)25)14-7-3-1-4-8-14)22-20-21-17(13-26-20)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,24,25)(H,21,22,23)/t16-/m1/s1
InChIKeyYWIMYIAQCSEKCJ-MRXNPFEDSA-N
MW366.44 g/mol
LogP4.40
Rot. Bonds7

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

(3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid (PubChem CID 2039739) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is (3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
PubChem CID2039739
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC Name(3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid
SMILESO=C(O)C[C@@H](CC(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C20H18N2O3S/c23-18(11-16(12-19(24)25)14-7-3-1-4-8-14)22-20-21-17(13-26-20)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,24,25)(H,21,22,23)/t16-/m1/s1
InChIKeyYWIMYIAQCSEKCJ-MRXNPFEDSA-N
XLogP4.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
N-[4-(3-aminophenyl)-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 28861500
(3S)-5-oxo-3-phenyl-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 1085203
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
3,3-diphenyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 4171293
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
(2R)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpropanoic acid
CID 2341123
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 4857714
methyl N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]carbamate
CID 47299409
N-(4-phenyl-1,3-thiazol-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 1426864
[2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227676

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The IUPAC name of (3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid (CID 2039739) is (3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid.
What is the SMILES notation for (3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The canonical SMILES for (3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid is O=C(O)C[C@@H](CC(=O)Nc1nc(-c2ccccc2)cs1)c1ccccc1.
What is the InChIKey of (3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
The InChIKey is YWIMYIAQCSEKCJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18N2O3S/c23-18(11-16(12-19(24)25)14-7-3-1-4-8-14)22-20-21-17(13-26-20)15-9-5-2-6-10-15/h1-10,13,16H,11-12H2,(H,24,25)(H,21,22,23)/t16-/m1/s1.
What are the key properties of (3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid?
(3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid has a molecular weight of 366.44 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-3-phenyl-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid is sourced from PubChem (CID 2039739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).