2-cyclohexyl-3H-1,2-thiazole 1-oxide

C9H15NOS — CID 67882792

IUPAC2-cyclohexyl-3H-1,2-thiazole 1-oxide
SMILESO=S1C=CCN1C1CCCCC1
InChIInChI=1S/C9H15NOS/c11-12-8-4-7-10(12)9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2
InChIKeyZXDHJHLNNZMMNO-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.81
Rot. Bonds1

About 2-cyclohexyl-3H-1,2-thiazole 1-oxide

2-cyclohexyl-3H-1,2-thiazole 1-oxide (PubChem CID 67882792) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-cyclohexyl-3H-1,2-thiazole 1-oxide.

Molecular Properties

Compound Name2-cyclohexyl-3H-1,2-thiazole 1-oxide
PubChem CID67882792
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-cyclohexyl-3H-1,2-thiazole 1-oxide
SMILESO=S1C=CCN1C1CCCCC1
InChIInChI=1S/C9H15NOS/c11-12-8-4-7-10(12)9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2
InChIKeyZXDHJHLNNZMMNO-UHFFFAOYSA-N
XLogP1.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3H-1,2-thiazole 1-oxide?
The IUPAC name of 2-cyclohexyl-3H-1,2-thiazole 1-oxide (CID 67882792) is 2-cyclohexyl-3H-1,2-thiazole 1-oxide.
What is the SMILES notation for 2-cyclohexyl-3H-1,2-thiazole 1-oxide?
The canonical SMILES for 2-cyclohexyl-3H-1,2-thiazole 1-oxide is O=S1C=CCN1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3H-1,2-thiazole 1-oxide?
The InChIKey is ZXDHJHLNNZMMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c11-12-8-4-7-10(12)9-5-2-1-3-6-9/h4,8-9H,1-3,5-7H2.
What are the key properties of 2-cyclohexyl-3H-1,2-thiazole 1-oxide?
2-cyclohexyl-3H-1,2-thiazole 1-oxide has a molecular weight of 185.29 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3H-1,2-thiazole 1-oxide is sourced from PubChem (CID 67882792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).