2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole

C7H9N5S2 — CID 18709066

IUPAC2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCCCn1nnnc1Sc1nccs1
InChIInChI=1S/C7H9N5S2/c1-2-4-12-6(9-10-11-12)14-7-8-3-5-13-7/h3,5H,2,4H2,1H3
InChIKeyKORKGDVVADWDNC-UHFFFAOYSA-N
MW227.32 g/mol
LogP1.69
Rot. Bonds4

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

2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18709066) has the molecular formula C7H9N5S2 and a molecular weight of 227.32 g/mol. Its IUPAC name is 2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18709066
Molecular FormulaC7H9N5S2
Molecular Weight227.32 g/mol
Exact Mass227.03
IUPAC Name2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCCCn1nnnc1Sc1nccs1
InChIInChI=1S/C7H9N5S2/c1-2-4-12-6(9-10-11-12)14-7-8-3-5-13-7/h3,5H,2,4H2,1H3
InChIKeyKORKGDVVADWDNC-UHFFFAOYSA-N
XLogP1.69
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 51.69
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 2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18709066) is 2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole is CCCn1nnnc1Sc1nccs1.
What is the InChIKey of 2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is KORKGDVVADWDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5S2/c1-2-4-12-6(9-10-11-12)14-7-8-3-5-13-7/h3,5H,2,4H2,1H3.
What are the key properties of 2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole?
2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole has a molecular weight of 227.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propyltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18709066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).