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

C16H18N2O3S — CID 3152628

IUPACethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cc2ccc(C)cc2)n1
InChIInChI=1S/C16H18N2O3S/c1-3-21-15(20)9-13-10-22-16(17-13)18-14(19)8-12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeySOROGAUTQXCUNH-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.74
Rot. Bonds6

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

ethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate (PubChem CID 3152628) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is ethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
PubChem CID3152628
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC Nameethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NC(=O)Cc2ccc(C)cc2)n1
InChIInChI=1S/C16H18N2O3S/c1-3-21-15(20)9-13-10-22-16(17-13)18-14(19)8-12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeySOROGAUTQXCUNH-UHFFFAOYSA-N
XLogP2.74
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate (CID 3152628) is ethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NC(=O)Cc2ccc(C)cc2)n1.
What is the InChIKey of ethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
The InChIKey is SOROGAUTQXCUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-3-21-15(20)9-13-10-22-16(17-13)18-14(19)8-12-6-4-11(2)5-7-12/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate has a molecular weight of 318.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 3152628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).