ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate

C17H18N6O3S — CID 75356958

IUPACethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(Cc2ccccc2)n2cnnn2)nc1C
InChIInChI=1S/C17H18N6O3S/c1-3-26-16(25)14-11(2)19-17(27-14)20-15(24)13(23-10-18-21-22-23)9-12-7-5-4-6-8-12/h4-8,10,13H,3,9H2,1-2H3,(H,19,20,24)
InChIKeyQUPJQLIHEZCUBQ-UHFFFAOYSA-N
MW386.44 g/mol
LogP2.04
Rot. Bonds7

About ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 75356958) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID75356958
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Nameethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(Cc2ccccc2)n2cnnn2)nc1C
InChIInChI=1S/C17H18N6O3S/c1-3-26-16(25)14-11(2)19-17(27-14)20-15(24)13(23-10-18-21-22-23)9-12-7-5-4-6-8-12/h4-8,10,13H,3,9H2,1-2H3,(H,19,20,24)
InChIKeyQUPJQLIHEZCUBQ-UHFFFAOYSA-N
XLogP2.04
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate (CID 75356958) is ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)C(Cc2ccccc2)n2cnnn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is QUPJQLIHEZCUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-3-26-16(25)14-11(2)19-17(27-14)20-15(24)13(23-10-18-21-22-23)9-12-7-5-4-6-8-12/h4-8,10,13H,3,9H2,1-2H3,(H,19,20,24).
What are the key properties of ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 386.44 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[[3-phenyl-2-(tetrazol-1-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 75356958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).