4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid

C14H14N2O3S — CID 114916710

IUPAC4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid
SMILESO=C(NC(CCc1ccccc1)C(=O)O)c1cscn1
InChIInChI=1S/C14H14N2O3S/c17-13(12-8-20-9-15-12)16-11(14(18)19)7-6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,16,17)(H,18,19)
InChIKeyFIINGVROVCZWCX-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.96
Rot. Bonds6

About 4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid

4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid (PubChem CID 114916710) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid
PubChem CID114916710
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid
SMILESO=C(NC(CCc1ccccc1)C(=O)O)c1cscn1
InChIInChI=1S/C14H14N2O3S/c17-13(12-8-20-9-15-12)16-11(14(18)19)7-6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,16,17)(H,18,19)
InChIKeyFIINGVROVCZWCX-UHFFFAOYSA-N
XLogP1.96
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate
CID 63050089
4-phenyl-2-(thiophene-3-carbonylamino)butanoic acid
CID 114916656
(2S)-2-benzamido-4-phenylbutanoic acid
CID 22824842
2-[(5-bromothiophene-3-carbonyl)amino]-4-phenylbutanoic acid
CID 114916690
(2S,4S)-2-methyl-4-(1,3-thiazole-4-carbonylamino)pentanoic acid
CID 90378227
(2S)-2-[(5-bromothiophene-2-carbonyl)amino]-4-phenylbutanoic acid
CID 104983214
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]-4-phenylbutanoic acid
CID 114917606
(2S)-2-[(5-chlorofuran-2-carbonyl)amino]-4-phenylbutanoic acid
CID 104983176
N-(4-hydroxy-4-phenylbutan-2-yl)-1,3-thiazole-4-carboxamide
CID 71852991
(2S)-2-(2,2-dimethylpropanoylamino)-4-phenylbutanoic acid
CID 104983118
N-(4-hydroxybutan-2-yl)-1,3-thiazole-4-carboxamide
CID 81042781
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid?
The IUPAC name of 4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid (CID 114916710) is 4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid.
What is the SMILES notation for 4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid?
The canonical SMILES for 4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid is O=C(NC(CCc1ccccc1)C(=O)O)c1cscn1.
What is the InChIKey of 4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid?
The InChIKey is FIINGVROVCZWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13(12-8-20-9-15-12)16-11(14(18)19)7-6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid?
4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid has a molecular weight of 290.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(1,3-thiazole-4-carbonylamino)butanoic acid is sourced from PubChem (CID 114916710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).