methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate

C15H16N2O3S — CID 175819788

IUPACmethyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate
SMILESCOC(=O)C(Cc1ccc(-c2scnc2C)cc1)NC=O
InChIInChI=1S/C15H16N2O3S/c1-10-14(21-9-17-10)12-5-3-11(4-6-12)7-13(16-8-18)15(19)20-2/h3-6,8-9,13H,7H2,1-2H3,(H,16,18)
InChIKeyNUQXXMKXRVSIOI-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.95
Rot. Bonds6

About methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate

methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate (PubChem CID 175819788) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate
PubChem CID175819788
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate
SMILESCOC(=O)C(Cc1ccc(-c2scnc2C)cc1)NC=O
InChIInChI=1S/C15H16N2O3S/c1-10-14(21-9-17-10)12-5-3-11(4-6-12)7-13(16-8-18)15(19)20-2/h3-6,8-9,13H,7H2,1-2H3,(H,16,18)
InChIKeyNUQXXMKXRVSIOI-UHFFFAOYSA-N
XLogP1.95
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
(2S)-2-(methylamino)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanal
CID 166916364
methyl 2-formamido-3-phenylpropanoate
CID 595529
methyl (2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168909958
methyl 3-(4-butoxyphenyl)-2-formamidopropanoate
CID 90060303
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
methyl 2-formamido-3-(4-pyrrol-1-ylphenyl)propanoate
CID 13021406
ethane;methyl 2-formamido-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
CID 143275907
(4R)-1-[(2S)-2-[(2-formamido-3-phenylpropanoyl)amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 171801897
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
methyl (2S)-3-(4-hydroxyphenyl)-2-(3-oxoprop-1-enylamino)propanoate
CID 131859284
4-hydroxy-2-(methylamino)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pentanamide
CID 123660320

Frequently Asked Questions

What is the IUPAC name of methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate?
The IUPAC name of methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate (CID 175819788) is methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate.
What is the SMILES notation for methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate?
The canonical SMILES for methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate is COC(=O)C(Cc1ccc(-c2scnc2C)cc1)NC=O.
What is the InChIKey of methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate?
The InChIKey is NUQXXMKXRVSIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-14(21-9-17-10)12-5-3-11(4-6-12)7-13(16-8-18)15(19)20-2/h3-6,8-9,13H,7H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate?
methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate has a molecular weight of 304.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-formamido-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoate is sourced from PubChem (CID 175819788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).