2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid

C29H22N2O3S — CID 90303324

IUPAC2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc2ccc(-c3nc(-c4ccccc4)cs3)cc2c1)(C(=O)O)c1ccccc1
InChIInChI=1S/C29H22N2O3S/c1-29(28(33)34,24-10-6-3-7-11-24)31-26(32)21-14-12-19-13-15-22(17-23(19)16-21)27-30-25(18-35-27)20-8-4-2-5-9-20/h2-18H,1H3,(H,31,32)(H,33,34)
InChIKeyNKEPPXVVZZHAFL-UHFFFAOYSA-N
MW478.57 g/mol
LogP6.36
Rot. Bonds6

About 2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid

2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid (PubChem CID 90303324) has the molecular formula C29H22N2O3S and a molecular weight of 478.57 g/mol. Its IUPAC name is 2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid
PubChem CID90303324
Molecular FormulaC29H22N2O3S
Molecular Weight478.57 g/mol
Exact Mass478.14
IUPAC Name2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)c1ccc2ccc(-c3nc(-c4ccccc4)cs3)cc2c1)(C(=O)O)c1ccccc1
InChIInChI=1S/C29H22N2O3S/c1-29(28(33)34,24-10-6-3-7-11-24)31-26(32)21-14-12-19-13-15-22(17-23(19)16-21)27-30-25(18-35-27)20-8-4-2-5-9-20/h2-18H,1H3,(H,31,32)(H,33,34)
InChIKeyNKEPPXVVZZHAFL-UHFFFAOYSA-N
XLogP6.36
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.57
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyclohexyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]acetic acid
CID 77105763
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-phenyl-2-[6-(2-phenyl-1,3-thiazol-4-yl)naphthalen-2-yl]oxypropanoic acid
CID 141139041
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
CID 63529998
2-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2-phenylpropanoic acid
CID 62789159
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 7917223
3,5-dimethyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286288
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-phenylbenzamide
CID 3120660
2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
CID 75472233
4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide
CID 87581411
4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid?
The IUPAC name of 2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid (CID 90303324) is 2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid is CC(NC(=O)c1ccc2ccc(-c3nc(-c4ccccc4)cs3)cc2c1)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid?
The InChIKey is NKEPPXVVZZHAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O3S/c1-29(28(33)34,24-10-6-3-7-11-24)31-26(32)21-14-12-19-13-15-22(17-23(19)16-21)27-30-25(18-35-27)20-8-4-2-5-9-20/h2-18H,1H3,(H,31,32)(H,33,34).
What are the key properties of 2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid?
2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid has a molecular weight of 478.57 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[[7-(4-phenyl-1,3-thiazol-2-yl)naphthalene-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 90303324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).