5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid

C13H16N4O3S — CID 43620885

IUPAC5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CSc2nnnn2C2CCCC2)oc1C(=O)O
InChIInChI=1S/C13H16N4O3S/c1-8-6-10(20-11(8)12(18)19)7-21-13-14-15-16-17(13)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,18,19)
InChIKeyJMPCLBUVSWFLCH-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.68
Rot. Bonds5

About 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid

5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid (PubChem CID 43620885) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid
PubChem CID43620885
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid
SMILESCc1cc(CSc2nnnn2C2CCCC2)oc1C(=O)O
InChIInChI=1S/C13H16N4O3S/c1-8-6-10(20-11(8)12(18)19)7-21-13-14-15-16-17(13)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,18,19)
InChIKeyJMPCLBUVSWFLCH-UHFFFAOYSA-N
XLogP2.68
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(2,4-dimethylphenyl)ethanone
CID 5116710
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-1-(2,5-dimethylphenyl)ethanone
CID 1452203
3-(1-cyclopentyltetrazol-5-yl)sulfanyl-2,2-dimethylpropanoic acid
CID 79629924
propan-2-yl 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetate
CID 47124350
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-cyclopropylethanone
CID 63902701
3-chloro-4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 102670281
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide
CID 18098914
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanone
CID 27096227
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-morpholin-4-ylethanone
CID 3228976
3-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-2-methylaniline
CID 43509449
methyl 2-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]furan-3-carboxylate
CID 24620978
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone
CID 9207975

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid (CID 43620885) is 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid is Cc1cc(CSc2nnnn2C2CCCC2)oc1C(=O)O.
What is the InChIKey of 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid?
The InChIKey is JMPCLBUVSWFLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-6-10(20-11(8)12(18)19)7-21-13-14-15-16-17(13)9-4-2-3-5-9/h6,9H,2-5,7H2,1H3,(H,18,19).
What are the key properties of 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid?
5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid has a molecular weight of 308.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-3-methylfuran-2-carboxylic acid is sourced from PubChem (CID 43620885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).