2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid

C13H14N2O2S — CID 43627750

IUPAC2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
SMILESCCC(Nc1nc(-c2ccccc2)cs1)C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-2-10(12(16)17)14-13-15-11(8-18-13)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyBOPPSWPPEZQRKJ-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.09
Rot. Bonds5

About 2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid

2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid (PubChem CID 43627750) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
PubChem CID43627750
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
SMILESCCC(Nc1nc(-c2ccccc2)cs1)C(=O)O
InChIInChI=1S/C13H14N2O2S/c1-2-10(12(16)17)14-13-15-11(8-18-13)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,14,15)(H,16,17)
InChIKeyBOPPSWPPEZQRKJ-UHFFFAOYSA-N
XLogP3.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-methyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 93057158
2-amino-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 139386677
N-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetamide
CID 86802898
3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 58629361
methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate
CID 86606580
[[(4-phenyl-1,3-thiazol-2-yl)amino]-phosphonomethyl]phosphonic acid
CID 19992029
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-phenyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133371204
2-methyl-3-(methylamino)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 119670232
(2S)-2-amino-N-(4-phenyl-1,3-thiazol-2-yl)pentanamide
CID 139370957
2-(4-ethylphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 43951133
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(4-iodophenyl)propanoic acid
CID 130234908

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid?
The IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid (CID 43627750) is 2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid?
The canonical SMILES for 2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid is CCC(Nc1nc(-c2ccccc2)cs1)C(=O)O.
What is the InChIKey of 2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid?
The InChIKey is BOPPSWPPEZQRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-2-10(12(16)17)14-13-15-11(8-18-13)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid?
2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid has a molecular weight of 262.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid is sourced from PubChem (CID 43627750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).