ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate

C15H16N2O3S — CID 702014

IUPACethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C15H16N2O3S/c1-3-20-13(18)8-12-9-21-15(16-12)17-14(19)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,19)
InChIKeyKSQSSJGVALRBIK-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.81
Rot. Bonds5

About ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate (PubChem CID 702014) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
PubChem CID702014
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Nameethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C15H16N2O3S/c1-3-20-13(18)8-12-9-21-15(16-12)17-14(19)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,19)
InChIKeyKSQSSJGVALRBIK-UHFFFAOYSA-N
XLogP2.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate (CID 702014) is ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)c2ccc(C)cc2)n1.
What is the InChIKey of ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is KSQSSJGVALRBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-3-20-13(18)8-12-9-21-15(16-12)17-14(19)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H,16,17,19).
What are the key properties of ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 304.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(4-methylbenzoyl)amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 702014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).