ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate

C15H17N3O3S — CID 736634

IUPACethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C15H17N3O3S/c1-3-21-13(19)8-12-9-22-15(17-12)18-14(20)16-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20)
InChIKeyPBQXBROZPMVUQR-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.20
Rot. Bonds5

About ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 736634) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
PubChem CID736634
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Nameethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1
InChIInChI=1S/C15H17N3O3S/c1-3-21-13(19)8-12-9-22-15(17-12)18-14(20)16-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20)
InChIKeyPBQXBROZPMVUQR-UHFFFAOYSA-N
XLogP3.20
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate (CID 736634) is ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Nc2ccc(C)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is PBQXBROZPMVUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-3-21-13(19)8-12-9-22-15(17-12)18-14(20)16-11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20).
What are the key properties of ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 319.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 736634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).