2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid

C13H11N5O2S — CID 81428061

IUPAC2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1Cc1cccc2cccnc12
InChIInChI=1S/C13H11N5O2S/c19-11(20)8-21-13-15-16-17-18(13)7-10-4-1-3-9-5-2-6-14-12(9)10/h1-6H,7-8H2,(H,19,20)
InChIKeyIRCWKOLSFCODJA-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.45
Rot. Bonds5

About 2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid

2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid (PubChem CID 81428061) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
PubChem CID81428061
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1nnnn1Cc1cccc2cccnc12
InChIInChI=1S/C13H11N5O2S/c19-11(20)8-21-13-15-16-17-18(13)7-10-4-1-3-9-5-2-6-14-12(9)10/h1-6H,7-8H2,(H,19,20)
InChIKeyIRCWKOLSFCODJA-UHFFFAOYSA-N
XLogP1.45
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(5-methyltetrazol-1-yl)methyl]quinoline
CID 75512940
2-(1-benzyltetrazol-5-yl)sulfanylacetic acid
CID 10800661
2-(5-quinolin-8-yltetrazol-1-yl)acetic acid
CID 66042569
2-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070293
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
1-(2-quinolin-8-ylethyl)tetrazol-5-amine
CID 81423181
5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
CID 79542110
1-(quinolin-8-ylmethyl)pyrazole-3-carboxamide
CID 71259684
2-(5-methyl-1-quinolin-8-ylimidazol-2-yl)sulfanylacetic acid
CID 81344523
2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
CID 63281040
2-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]tetrazol-5-yl]sulfanylacetic acid
CID 54964497
2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 135353659

Frequently Asked Questions

What is the IUPAC name of 2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid (CID 81428061) is 2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid is O=C(O)CSc1nnnn1Cc1cccc2cccnc12.
What is the InChIKey of 2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid?
The InChIKey is IRCWKOLSFCODJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c19-11(20)8-21-13-15-16-17-18(13)7-10-4-1-3-9-5-2-6-14-12(9)10/h1-6H,7-8H2,(H,19,20).
What are the key properties of 2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid?
2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid has a molecular weight of 301.33 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 81428061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).