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

C14H14N2O4S — CID 87014045

IUPAC(3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)Oc1cccc(C(N)=O)c1
InChIInChI=1S/C14H14N2O4S/c1-9-8-21-14(19)16(9)6-5-12(17)20-11-4-2-3-10(7-11)13(15)18/h2-4,7-8H,5-6H2,1H3,(H2,15,18)
InChIKeyDXWKGCPKUHZZPL-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.31
Rot. Bonds5

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

(3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (PubChem CID 87014045) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is (3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.

Molecular Properties

Compound Name(3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
PubChem CID87014045
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name(3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
SMILESCc1csc(=O)n1CCC(=O)Oc1cccc(C(N)=O)c1
InChIInChI=1S/C14H14N2O4S/c1-9-8-21-14(19)16(9)6-5-12(17)20-11-4-2-3-10(7-11)13(15)18/h2-4,7-8H,5-6H2,1H3,(H2,15,18)
InChIKeyDXWKGCPKUHZZPL-UHFFFAOYSA-N
XLogP1.31
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dibenzofuran-2-yl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
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3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 60669041
4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
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[(2R)-1-amino-1-oxopropan-2-yl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 40704753
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3-(4-chlorophenoxy)propyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 55568503
4-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-phenoxyphenyl)butanamide
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2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 46606374
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)ethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 46606994
(1-phenyltetrazol-5-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27751738
[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 9440946

Frequently Asked Questions

What is the IUPAC name of (3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The IUPAC name of (3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate (CID 87014045) is (3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate.
What is the SMILES notation for (3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The canonical SMILES for (3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is Cc1csc(=O)n1CCC(=O)Oc1cccc(C(N)=O)c1.
What is the InChIKey of (3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
The InChIKey is DXWKGCPKUHZZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-8-21-14(19)16(9)6-5-12(17)20-11-4-2-3-10(7-11)13(15)18/h2-4,7-8H,5-6H2,1H3,(H2,15,18).
What are the key properties of (3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate?
(3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate has a molecular weight of 306.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carbamoylphenyl) 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate is sourced from PubChem (CID 87014045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).