2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole

C12H11N5S2 — CID 70263093

IUPAC2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
SMILESCCc1ccccc1-n1nnnc1Sc1nccs1
InChIInChI=1S/C12H11N5S2/c1-2-9-5-3-4-6-10(9)17-11(14-15-16-17)19-12-13-7-8-18-12/h3-8H,2H2,1H3
InChIKeyYUNYYAKTRRZQIS-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.83
Rot. Bonds4

About 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole

2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole (PubChem CID 70263093) has the molecular formula C12H11N5S2 and a molecular weight of 289.39 g/mol. Its IUPAC name is 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
PubChem CID70263093
Molecular FormulaC12H11N5S2
Molecular Weight289.39 g/mol
Exact Mass289.05
IUPAC Name2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
SMILESCCc1ccccc1-n1nnnc1Sc1nccs1
InChIInChI=1S/C12H11N5S2/c1-2-9-5-3-4-6-10(9)17-11(14-15-16-17)19-12-13-7-8-18-12/h3-8H,2H2,1H3
InChIKeyYUNYYAKTRRZQIS-UHFFFAOYSA-N
XLogP2.83
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole 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-[2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 70263572
2-[1-(4-bromophenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
CID 18708376
2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18709066
4-[5-(1,3-thiazol-2-ylsulfanyl)tetrazol-1-yl]benzoic acid
CID 18709362
(2R)-2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7464575
(2S)-2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 42497210
2-(1-phenyltetrazol-5-yl)sulfanyl-N-(1,3-thiazol-2-yl)butanamide
CID 2952050
2-[1-(2-ethylphenyl)tetrazol-5-yl]aniline
CID 61353615
2-phenylsulfanyl-1,3-thiazole
CID 606073
2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 6491269
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988
2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole
CID 2536033

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
The IUPAC name of 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole (CID 70263093) is 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
The canonical SMILES for 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole is CCc1ccccc1-n1nnnc1Sc1nccs1.
What is the InChIKey of 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
The InChIKey is YUNYYAKTRRZQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5S2/c1-2-9-5-3-4-6-10(9)17-11(14-15-16-17)19-12-13-7-8-18-12/h3-8H,2H2,1H3.
What are the key properties of 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole has a molecular weight of 289.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylphenyl)tetrazol-5-yl]sulfanyl-1,3-thiazole is sourced from PubChem (CID 70263093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).