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

C7H7N5O2S2 — CID 18708071

IUPAC2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
SMILESCCn1nnnc1Sc1ncc(C(=O)O)s1
InChIInChI=1S/C7H7N5O2S2/c1-2-12-6(9-10-11-12)16-7-8-3-4(15-7)5(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyHOUHOWOOSHMKEC-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.00
Rot. Bonds4

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

2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid (PubChem CID 18708071) has the molecular formula C7H7N5O2S2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
PubChem CID18708071
Molecular FormulaC7H7N5O2S2
Molecular Weight257.30 g/mol
Exact Mass257.00
IUPAC Name2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
SMILESCCn1nnnc1Sc1ncc(C(=O)O)s1
InChIInChI=1S/C7H7N5O2S2/c1-2-12-6(9-10-11-12)16-7-8-3-4(15-7)5(13)14/h3H,2H2,1H3,(H,13,14)
InChIKeyHOUHOWOOSHMKEC-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'}

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

2-[1-[3-(Dimethylamino)propyl]tetrazol-5-yl]sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18707520
2-(1-Methyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18707580
2-(1-Tert-butyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18707608
2-[1-(Carboxymethyl)tetrazol-5-yl]sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18707613
2-[(4,5-Dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid
CID 18707653
2-[1-(1,3-Thiazol-2-yl)tetrazol-5-yl]sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18707708
2-(1-Butyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18707759
2-(2-Ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18707839
2-[(3-Ethyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid
CID 18708141
2-[2-(Carboxymethyl)tetrazol-5-yl]sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18708160
2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid
CID 18708223
2-[(3-Butyl-1,2,4-triazol-1-yl)sulfanyl]-1,3-thiazole-5-carboxylic acid
CID 18708229

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid (CID 18708071) is 2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid is CCn1nnnc1Sc1ncc(C(=O)O)s1.
What is the InChIKey of 2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is HOUHOWOOSHMKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2S2/c1-2-12-6(9-10-11-12)16-7-8-3-4(15-7)5(13)14/h3H,2H2,1H3,(H,13,14).
What are the key properties of 2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid?
2-(1-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-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18708071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).