2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid

C6H5N5O2S2 — CID 18707580

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
SMILESCn1nnnc1Sc1ncc(C(=O)O)s1
InChIInChI=1S/C6H5N5O2S2/c1-11-5(8-9-10-11)15-6-7-2-3(14-6)4(12)13/h2H,1H3,(H,12,13)
InChIKeyAWZLFAHTVZVNDC-UHFFFAOYSA-N
MW243.27 g/mol
LogP0.52
Rot. Bonds3

About 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid

2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid (PubChem CID 18707580) has the molecular formula C6H5N5O2S2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
PubChem CID18707580
Molecular FormulaC6H5N5O2S2
Molecular Weight243.27 g/mol
Exact Mass242.99
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
SMILESCn1nnnc1Sc1ncc(C(=O)O)s1
InChIInChI=1S/C6H5N5O2S2/c1-11-5(8-9-10-11)15-6-7-2-3(14-6)4(12)13/h2H,1H3,(H,12,13)
InChIKeyAWZLFAHTVZVNDC-UHFFFAOYSA-N
XLogP0.52
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid (CID 18707580) is 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid is Cn1nnnc1Sc1ncc(C(=O)O)s1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is AWZLFAHTVZVNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N5O2S2/c1-11-5(8-9-10-11)15-6-7-2-3(14-6)4(12)13/h2H,1H3,(H,12,13).
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid?
2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18707580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).