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

C5H5N5S2 — CID 18708061

IUPAC2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCn1nnnc1Sc1nccs1
InChIInChI=1S/C5H5N5S2/c1-10-4(7-8-9-10)12-5-6-2-3-11-5/h2-3H,1H3
InChIKeyBYEKBFLXVWUUAX-UHFFFAOYSA-N
MW199.26 g/mol
LogP0.82
Rot. Bonds2

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

2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole (PubChem CID 18708061) has the molecular formula C5H5N5S2 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
PubChem CID18708061
Molecular FormulaC5H5N5S2
Molecular Weight199.26 g/mol
Exact Mass199.00
IUPAC Name2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole
SMILESCn1nnnc1Sc1nccs1
InChIInChI=1S/C5H5N5S2/c1-10-4(7-8-9-10)12-5-6-2-3-11-5/h2-3H,1H3
InChIKeyBYEKBFLXVWUUAX-UHFFFAOYSA-N
XLogP0.82
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 50.82
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-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The IUPAC name of 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole (CID 18708061) is 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole is Cn1nnnc1Sc1nccs1.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
The InChIKey is BYEKBFLXVWUUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S2/c1-10-4(7-8-9-10)12-5-6-2-3-11-5/h2-3H,1H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole?
2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole has a molecular weight of 199.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 18708061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).