(4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate

C14H16N2O2S — CID 106592387

IUPAC(4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate
SMILESCc1csc(COC(=O)C(C)c2cccc(N)c2)n1
InChIInChI=1S/C14H16N2O2S/c1-9-8-19-13(16-9)7-18-14(17)10(2)11-4-3-5-12(15)6-11/h3-6,8,10H,7,15H2,1-2H3
InChIKeyFUXZJPKVWZUYMC-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.88
Rot. Bonds4

About (4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate

(4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate (PubChem CID 106592387) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate
PubChem CID106592387
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name(4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate
SMILESCc1csc(COC(=O)C(C)c2cccc(N)c2)n1
InChIInChI=1S/C14H16N2O2S/c1-9-8-19-13(16-9)7-18-14(17)10(2)11-4-3-5-12(15)6-11/h3-6,8,10H,7,15H2,1-2H3
InChIKeyFUXZJPKVWZUYMC-UHFFFAOYSA-N
XLogP2.88
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxypropyl 2-(3-aminophenyl)propanoate
CID 106592560
(4-fluorophenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592381
(4-fluoro-2-methylphenyl)methyl 2-(3-aminophenyl)propanoate
CID 106592457
1-(3-aminophenyl)-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 54962764
2-(2-hydroxyethoxy)ethyl 2-(3-aminophenyl)propanoate
CID 106592581
4-amino-1-(4-methyl-1,3-thiazol-2-yl)-4-phenylbutan-2-one
CID 116553119
(3-methoxy-3-methylbutyl) 2-(3-aminophenyl)propanoate
CID 106592409
4-cyanobutyl 2-(3-aminophenyl)propanoate
CID 106592466
3-amino-N-[4-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 119875329
(2-oxo-2-piperidin-1-ylethyl) 2-(3-aminophenyl)propanoate
CID 106592536
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] 2-phenylbutanoate
CID 55443881
2-(3-aminophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propanamide
CID 106591385

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate?
The IUPAC name of (4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate (CID 106592387) is (4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate.
What is the SMILES notation for (4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate?
The canonical SMILES for (4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate is Cc1csc(COC(=O)C(C)c2cccc(N)c2)n1.
What is the InChIKey of (4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate?
The InChIKey is FUXZJPKVWZUYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-9-8-19-13(16-9)7-18-14(17)10(2)11-4-3-5-12(15)6-11/h3-6,8,10H,7,15H2,1-2H3.
What are the key properties of (4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate?
(4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate has a molecular weight of 276.36 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate is sourced from PubChem (CID 106592387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).