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

C10H15N5O2S3 — CID 18707766

IUPAC2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
SMILESCS(=O)(=O)CCCCCn1nnnc1Sc1nccs1
InChIInChI=1S/C10H15N5O2S3/c1-20(16,17)8-4-2-3-6-15-9(12-13-14-15)19-10-11-5-7-18-10/h5,7H,2-4,6,8H2,1H3
InChIKeyFWCBXJIDSGUSOK-UHFFFAOYSA-N
MW333.46 g/mol
LogP1.50
Rot. Bonds8

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

2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole (PubChem CID 18707766) has the molecular formula C10H15N5O2S3 and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
PubChem CID18707766
Molecular FormulaC10H15N5O2S3
Molecular Weight333.46 g/mol
Exact Mass333.04
IUPAC Name2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole
SMILESCS(=O)(=O)CCCCCn1nnnc1Sc1nccs1
InChIInChI=1S/C10H15N5O2S3/c1-20(16,17)8-4-2-3-6-15-9(12-13-14-15)19-10-11-5-7-18-10/h5,7H,2-4,6,8H2,1H3
InChIKeyFWCBXJIDSGUSOK-UHFFFAOYSA-N
XLogP1.50
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
The IUPAC name of 2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole (CID 18707766) is 2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole.
What is the SMILES notation for 2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
The canonical SMILES for 2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole is CS(=O)(=O)CCCCCn1nnnc1Sc1nccs1.
What is the InChIKey of 2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
The InChIKey is FWCBXJIDSGUSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S3/c1-20(16,17)8-4-2-3-6-15-9(12-13-14-15)19-10-11-5-7-18-10/h5,7H,2-4,6,8H2,1H3.
What are the key properties of 2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole?
2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole has a molecular weight of 333.46 g/mol, XLogP of 1.50, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylsulfonylpentyl)tetrazol-5-yl]sulfanyl-1,3-thiazole is sourced from PubChem (CID 18707766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).