2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole

C11H15N5O2S3 — CID 18708558

IUPAC2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole
SMILESCS(=O)(=O)c1cnc(Sc2nnnn2C2CCCCC2)s1
InChIInChI=1S/C11H15N5O2S3/c1-21(17,18)9-7-12-11(19-9)20-10-13-14-15-16(10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyIHVKQEMVURZATJ-UHFFFAOYSA-N
MW345.48 g/mol
LogP2.19
Rot. Bonds4

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

2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole (PubChem CID 18708558) has the molecular formula C11H15N5O2S3 and a molecular weight of 345.48 g/mol. Its IUPAC name is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole
PubChem CID18708558
Molecular FormulaC11H15N5O2S3
Molecular Weight345.48 g/mol
Exact Mass345.04
IUPAC Name2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole
SMILESCS(=O)(=O)c1cnc(Sc2nnnn2C2CCCCC2)s1
InChIInChI=1S/C11H15N5O2S3/c1-21(17,18)9-7-12-11(19-9)20-10-13-14-15-16(10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyIHVKQEMVURZATJ-UHFFFAOYSA-N
XLogP2.19
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole?
The IUPAC name of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole (CID 18708558) is 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole.
What is the SMILES notation for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole?
The canonical SMILES for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole is CS(=O)(=O)c1cnc(Sc2nnnn2C2CCCCC2)s1.
What is the InChIKey of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole?
The InChIKey is IHVKQEMVURZATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S3/c1-21(17,18)9-7-12-11(19-9)20-10-13-14-15-16(10)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole?
2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole has a molecular weight of 345.48 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexyltetrazol-5-yl)sulfanyl-5-methylsulfonyl-1,3-thiazole is sourced from PubChem (CID 18708558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).