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

C6H6ClN5S2 — CID 18708929

IUPAC5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCCn1nnnc1Sc1ncc(Cl)s1
InChIInChI=1S/C6H6ClN5S2/c1-2-12-5(9-10-11-12)14-6-8-3-4(7)13-6/h3H,2H2,1H3
InChIKeyZCYHPKMYLFBVEG-UHFFFAOYSA-N
MW247.74 g/mol
LogP1.95
Rot. Bonds3

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

5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18708929) has the molecular formula C6H6ClN5S2 and a molecular weight of 247.74 g/mol. Its IUPAC name is 5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18708929
Molecular FormulaC6H6ClN5S2
Molecular Weight247.74 g/mol
Exact Mass246.98
IUPAC Name5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCCn1nnnc1Sc1ncc(Cl)s1
InChIInChI=1S/C6H6ClN5S2/c1-2-12-5(9-10-11-12)14-6-8-3-4(7)13-6/h3H,2H2,1H3
InChIKeyZCYHPKMYLFBVEG-UHFFFAOYSA-N
XLogP1.95
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.74
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18708929) is 5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole is CCn1nnnc1Sc1ncc(Cl)s1.
What is the InChIKey of 5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is ZCYHPKMYLFBVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5S2/c1-2-12-5(9-10-11-12)14-6-8-3-4(7)13-6/h3H,2H2,1H3.
What are the key properties of 5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole?
5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole has a molecular weight of 247.74 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-ethyltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18708929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).