methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate

C15H14N4O3S — CID 18122103

IUPACmethyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CSc1nnnn1-c1ccccc1C
InChIInChI=1S/C15H14N4O3S/c1-10-5-3-4-6-12(10)19-15(16-17-18-19)23-9-11-7-8-22-13(11)14(20)21-2/h3-8H,9H2,1-2H3
InChIKeyWOGBSLQNZPHJRR-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.64
Rot. Bonds5

About methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate

methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate (PubChem CID 18122103) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate
PubChem CID18122103
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Namemethyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1CSc1nnnn1-c1ccccc1C
InChIInChI=1S/C15H14N4O3S/c1-10-5-3-4-6-12(10)19-15(16-17-18-19)23-9-11-7-8-22-13(11)14(20)21-2/h3-8H,9H2,1-2H3
InChIKeyWOGBSLQNZPHJRR-UHFFFAOYSA-N
XLogP2.64
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(2-methoxyphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647181
methyl 3-[[4-benzyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]furan-2-carboxylate
CID 18122401
5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 8944164
5-[(2,5-dimethylphenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 7647121
N-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]acetamide
CID 17394512
N'-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 7646637
2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N',N'-diphenylacetohydrazide
CID 3369531
methyl 3-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]furan-2-carboxylate
CID 18122310
4-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylbut-2-ynyl 4-bromobenzoate
CID 5160454
5-[(2,4-dichlorophenyl)methylsulfanyl]-1-(2-methylphenyl)tetrazole
CID 2390682
1-(2-methylphenyl)-5-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]tetrazole
CID 16508779
methyl 3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 47129437

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate (CID 18122103) is methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate is COC(=O)c1occc1CSc1nnnn1-c1ccccc1C.
What is the InChIKey of methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate?
The InChIKey is WOGBSLQNZPHJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-10-5-3-4-6-12(10)19-15(16-17-18-19)23-9-11-7-8-22-13(11)14(20)21-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate?
methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]furan-2-carboxylate is sourced from PubChem (CID 18122103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).