2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid

C5H3N5O2S2 — CID 18708223

IUPAC2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Sc2nn[nH]n2)s1
InChIInChI=1S/C5H3N5O2S2/c11-3(12)2-1-6-5(13-2)14-4-7-9-10-8-4/h1H,(H,11,12)(H,7,8,9,10)
InChIKeyBYWWHNPINHMPTQ-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.51
Rot. Bonds3

About 2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid

2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 18708223) has the molecular formula C5H3N5O2S2 and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid
PubChem CID18708223
Molecular FormulaC5H3N5O2S2
Molecular Weight229.25 g/mol
Exact Mass228.97
IUPAC Name2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Sc2nn[nH]n2)s1
InChIInChI=1S/C5H3N5O2S2/c11-3(12)2-1-6-5(13-2)14-4-7-9-10-8-4/h1H,(H,11,12)(H,7,8,9,10)
InChIKeyBYWWHNPINHMPTQ-UHFFFAOYSA-N
XLogP0.51
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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-(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-(1-Ethyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18708071
2-[2-(Carboxymethyl)tetrazol-5-yl]sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18708160
2-(1H-1,2,4-triazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid
CID 18708290
2-(2-Propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18708342
2-(1-Propan-2-yltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18708418
2-(1-Propyltetrazol-5-yl)sulfanyl-1,3-thiazole-5-carboxylic acid
CID 18708504

Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid (CID 18708223) is 2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(Sc2nn[nH]n2)s1.
What is the InChIKey of 2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is BYWWHNPINHMPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N5O2S2/c11-3(12)2-1-6-5(13-2)14-4-7-9-10-8-4/h1H,(H,11,12)(H,7,8,9,10).
What are the key properties of 2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid?
2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 229.25 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-ylsulfanyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 18708223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).