[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate

C16H11N5O3S — CID 55514433

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
SMILESO=C(OCc1csc(-c2ccco2)n1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H11N5O3S/c22-16(11-3-1-4-13(7-11)21-10-17-19-20-21)24-8-12-9-25-15(18-12)14-5-2-6-23-14/h1-7,9-10H,8H2
InChIKeyWCEJSBNZTBHKDG-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.74
Rot. Bonds5

About [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate

[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate (PubChem CID 55514433) has the molecular formula C16H11N5O3S and a molecular weight of 353.36 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
PubChem CID55514433
Molecular FormulaC16H11N5O3S
Molecular Weight353.36 g/mol
Exact Mass353.06
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
SMILESO=C(OCc1csc(-c2ccco2)n1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H11N5O3S/c22-16(11-3-1-4-13(7-11)21-10-17-19-20-21)24-8-12-9-25-15(18-12)14-5-2-6-23-14/h1-7,9-10H,8H2
InChIKeyWCEJSBNZTBHKDG-UHFFFAOYSA-N
XLogP2.74
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 39939448
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-(5-methylpyrazol-1-yl)benzoate
CID 32913848
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 4-methoxy-3-sulfamoylbenzoate
CID 32757862
[2-(4-ethylphenyl)-1,3-thiazol-4-yl]methyl 4-(tetrazol-1-yl)benzoate
CID 9455557
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]acetamide
CID 46570125
(4-chlorophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 41194676
(2-fluorophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 30393199
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(tetrazol-1-yl)benzoate
CID 55730925
(4-cyanophenyl)methyl 3-(tetrazol-1-yl)benzoate
CID 41194671
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 5-phenyl-1H-pyrazole-4-carboxylate
CID 55528539
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55530063
(3-chloro-4-methylquinolin-2-yl)methyl 3-(tetrazol-1-yl)benzoate
CID 9405642

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate (CID 55514433) is [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate is O=C(OCc1csc(-c2ccco2)n1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate?
The InChIKey is WCEJSBNZTBHKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O3S/c22-16(11-3-1-4-13(7-11)21-10-17-19-20-21)24-8-12-9-25-15(18-12)14-5-2-6-23-14/h1-7,9-10H,8H2.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate?
[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate has a molecular weight of 353.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]methyl 3-(tetrazol-1-yl)benzoate is sourced from PubChem (CID 55514433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).