methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate

C11H11N5O3S — CID 726072

IUPACmethyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate
SMILESCOC(=O)CSc1nnnn1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H11N5O3S/c1-19-9(17)6-20-11-13-14-15-16(11)8-4-2-7(3-5-8)10(12)18/h2-5H,6H2,1H3,(H2,12,18)
InChIKeyFKMYGZGTDHZRGQ-UHFFFAOYSA-N
MW293.31 g/mol
LogP0.03
Rot. Bonds5

About methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate

methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate (PubChem CID 726072) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate
PubChem CID726072
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Namemethyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate
SMILESCOC(=O)CSc1nnnn1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C11H11N5O3S/c1-19-9(17)6-20-11-13-14-15-16(11)8-4-2-7(3-5-8)10(12)18/h2-5H,6H2,1H3,(H2,12,18)
InChIKeyFKMYGZGTDHZRGQ-UHFFFAOYSA-N
XLogP0.03
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 1071313
methyl 4-[5-(2-anilino-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
CID 1323060
4-[5-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzamide
CID 2252796
methyl 4-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
CID 1175830
4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 27309581
propan-2-yl 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetate
CID 47095765
methyl 4-[5-(2-morpholin-4-yl-2-oxoethyl)sulfanyltetrazol-1-yl]benzoate
CID 1037954
2-[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 859389
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
CID 2610082
4-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 16536135
1-(4-chlorophenyl)-2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylethanone
CID 2615952
methyl 4-[5-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyltetrazol-1-yl]benzoate
CID 3189409

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate?
The IUPAC name of methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate (CID 726072) is methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate.
What is the SMILES notation for methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate?
The canonical SMILES for methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate is COC(=O)CSc1nnnn1-c1ccc(C(N)=O)cc1.
What is the InChIKey of methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate?
The InChIKey is FKMYGZGTDHZRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c1-19-9(17)6-20-11-13-14-15-16(11)8-4-2-7(3-5-8)10(12)18/h2-5H,6H2,1H3,(H2,12,18).
What are the key properties of methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate?
methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate has a molecular weight of 293.31 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate is sourced from PubChem (CID 726072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).