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

C25H22N2O3S — CID 58629361

IUPAC3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
SMILESO=C(O)C(Cc1ccccc1)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1
InChIInChI=1S/C25H22N2O3S/c28-24(29)22(15-18-7-3-1-4-8-18)26-25-27-23(17-31-25)20-11-13-21(14-12-20)30-16-19-9-5-2-6-10-19/h1-14,17,22H,15-16H2,(H,26,27)(H,28,29)
InChIKeyRFCACSLBUVQTMR-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.50
Rot. Bonds9

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

3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid (PubChem CID 58629361) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is 3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
PubChem CID58629361
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
SMILESO=C(O)C(Cc1ccccc1)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1
InChIInChI=1S/C25H22N2O3S/c28-24(29)22(15-18-7-3-1-4-8-18)26-25-27-23(17-31-25)20-11-13-21(14-12-20)30-16-19-9-5-2-6-10-19/h1-14,17,22H,15-16H2,(H,26,27)(H,28,29)
InChIKeyRFCACSLBUVQTMR-UHFFFAOYSA-N
XLogP5.50
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-benzyl-5-(4-phenylmethoxyphenyl)pyrazin-2-yl]amino]-3-phenylpropanoic acid
CID 135364521
methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate
CID 86606580
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-(4-iodophenyl)propanoic acid
CID 130234908
3-(4-bromophenyl)-2-[[4-(4-iodophenyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 130234909
2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 43627750
3-phenyl-2-[[6-[4-(pyridin-4-ylmethoxy)phenyl]pyrimidin-4-yl]amino]propanoic acid
CID 58629209
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-phenylmethoxybenzamide
CID 17113568
(2S)-2-[(2-iodoacetyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 58683370
2-methyl-4-(4-phenylmethoxyphenyl)-1,3-thiazole
CID 132533720
2-[[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-(4-iodophenyl)propanoic acid
CID 88947797
(2S)-3-phenyl-2-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]carbamoylamino]propanoic acid
CID 58874688
4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
CID 3100458

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid?
The IUPAC name of 3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid (CID 58629361) is 3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid.
What is the SMILES notation for 3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid?
The canonical SMILES for 3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid is O=C(O)C(Cc1ccccc1)Nc1nc(-c2ccc(OCc3ccccc3)cc2)cs1.
What is the InChIKey of 3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid?
The InChIKey is RFCACSLBUVQTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c28-24(29)22(15-18-7-3-1-4-8-18)26-25-27-23(17-31-25)20-11-13-21(14-12-20)30-16-19-9-5-2-6-10-19/h1-14,17,22H,15-16H2,(H,26,27)(H,28,29).
What are the key properties of 3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid?
3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid has a molecular weight of 430.53 g/mol, XLogP of 5.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid is sourced from PubChem (CID 58629361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).