methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate

C19H18N2O3S — CID 86606580

IUPACmethyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate
SMILESCOC(=O)[C@H](Cc1ccc(O)cc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H18N2O3S/c1-24-18(23)16(11-13-7-9-15(22)10-8-13)20-19-21-17(12-25-19)14-5-3-2-4-6-14/h2-10,12,16,22H,11H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyBDUMDQALANOIGV-INIZCTEOSA-N
MW354.43 g/mol
LogP3.71
Rot. Bonds6

About methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate

methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate (PubChem CID 86606580) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate
PubChem CID86606580
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Namemethyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate
SMILESCOC(=O)[C@H](Cc1ccc(O)cc1)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H18N2O3S/c1-24-18(23)16(11-13-7-9-15(22)10-8-13)20-19-21-17(12-25-19)14-5-3-2-4-6-14/h2-10,12,16,22H,11H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyBDUMDQALANOIGV-INIZCTEOSA-N
XLogP3.71
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-phenyl-2-[[4-(4-phenylmethoxyphenyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 58629361
2-[(1S)-2-(4-hydroxyphenyl)-1-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]-1,3-oxazole-4-carboxamide
CID 102223928
2-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 43627750
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
methyl 2-(2-acetylanilino)-3-(4-hydroxyphenyl)propanoate
CID 20689587
methyl 2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoate;hydrobromide
CID 70618594
methyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate;hydrate
CID 56777278
2-[[4-(3-chloro-4-methylphenyl)-1,3-thiazol-2-yl]amino]-3-(4-iodophenyl)propanoic acid
CID 88947797
benzyl N-[(2R)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 1103584
benzyl N-[(2S)-3-(4-nitrophenyl)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 2218066
methyl (2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate
CID 92643296

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate?
The IUPAC name of methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate (CID 86606580) is methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate.
What is the SMILES notation for methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate?
The canonical SMILES for methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate is COC(=O)[C@H](Cc1ccc(O)cc1)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate?
The InChIKey is BDUMDQALANOIGV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-24-18(23)16(11-13-7-9-15(22)10-8-13)20-19-21-17(12-25-19)14-5-3-2-4-6-14/h2-10,12,16,22H,11H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate?
methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate has a molecular weight of 354.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(4-hydroxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propanoate is sourced from PubChem (CID 86606580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).