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

C7H7N5O2S2 — CID 18707839

IUPAC2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
SMILESCCn1nnc(Sc2ncc(C(=O)O)s2)n1
InChIInChI=1S/C7H7N5O2S2/c1-2-12-10-6(9-11-12)16-7-8-3-4(15-7)5(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyLLNYNYRIRNSYAX-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.00
Rot. Bonds4

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

2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid (PubChem CID 18707839) has the molecular formula C7H7N5O2S2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
PubChem CID18707839
Molecular FormulaC7H7N5O2S2
Molecular Weight257.30 g/mol
Exact Mass257.00
IUPAC Name2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
SMILESCCn1nnc(Sc2ncc(C(=O)O)s2)n1
InChIInChI=1S/C7H7N5O2S2/c1-2-12-10-6(9-11-12)16-7-8-3-4(15-7)5(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyLLNYNYRIRNSYAX-UHFFFAOYSA-N
XLogP1.00
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.00
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-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid (CID 18707839) is 2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid is CCn1nnc(Sc2ncc(C(=O)O)s2)n1.
What is the InChIKey of 2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is LLNYNYRIRNSYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2S2/c1-2-12-10-6(9-11-12)16-7-8-3-4(15-7)5(13)14/h3H,2H2,1H3,(H,13,14).
What are the key properties of 2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid?
2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 257.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18707839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).