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

C16H16N6O3S — CID 71706326

IUPACmethyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCc1sc(NC(=O)C(c2ccccc2)n2cnnn2)nc1C(=O)OC
InChIInChI=1S/C16H16N6O3S/c1-3-11-12(15(24)25-2)18-16(26-11)19-14(23)13(22-9-17-20-21-22)10-7-5-4-6-8-10/h4-9,13H,3H2,1-2H3,(H,18,19,23)
InChIKeyGWNFPBNVSSYVNI-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.71
Rot. Bonds6

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

methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate (PubChem CID 71706326) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
PubChem CID71706326
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC Namemethyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
SMILESCCc1sc(NC(=O)C(c2ccccc2)n2cnnn2)nc1C(=O)OC
InChIInChI=1S/C16H16N6O3S/c1-3-11-12(15(24)25-2)18-16(26-11)19-14(23)13(22-9-17-20-21-22)10-7-5-4-6-8-10/h4-9,13H,3H2,1-2H3,(H,18,19,23)
InChIKeyGWNFPBNVSSYVNI-UHFFFAOYSA-N
XLogP1.71
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate (CID 71706326) is methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate is CCc1sc(NC(=O)C(c2ccccc2)n2cnnn2)nc1C(=O)OC.
What is the InChIKey of methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
The InChIKey is GWNFPBNVSSYVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-3-11-12(15(24)25-2)18-16(26-11)19-14(23)13(22-9-17-20-21-22)10-7-5-4-6-8-10/h4-9,13H,3H2,1-2H3,(H,18,19,23).
What are the key properties of methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate?
methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate has a molecular weight of 372.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-ethyl-2-[[2-phenyl-2-(tetrazol-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71706326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).