ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C16H17N3O4S — CID 90655325

IUPACethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CNC(=O)c2ccccc2)nc1C
InChIInChI=1S/C16H17N3O4S/c1-3-23-15(22)13-10(2)18-16(24-13)19-12(20)9-17-14(21)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyNFPLOEQRSAJLHZ-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.00
Rot. Bonds6

About ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 90655325) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID90655325
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Nameethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)CNC(=O)c2ccccc2)nc1C
InChIInChI=1S/C16H17N3O4S/c1-3-23-15(22)13-10(2)18-16(24-13)19-12(20)9-17-14(21)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyNFPLOEQRSAJLHZ-UHFFFAOYSA-N
XLogP2.00
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 90655325) is ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)CNC(=O)c2ccccc2)nc1C.
What is the InChIKey of ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is NFPLOEQRSAJLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-3-23-15(22)13-10(2)18-16(24-13)19-12(20)9-17-14(21)11-7-5-4-6-8-11/h4-8H,3,9H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 347.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-benzamidoacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90655325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).