4-(1,3-thiazol-5-yl)cyclohexan-1-one

C9H11NOS — CID 91501418

IUPAC4-(1,3-thiazol-5-yl)cyclohexan-1-one
SMILESO=C1CCC(c2cncs2)CC1
InChIInChI=1S/C9H11NOS/c11-8-3-1-7(2-4-8)9-5-10-6-12-9/h5-7H,1-4H2
InChIKeyKLACSXOGUAHIMN-UHFFFAOYSA-N
MW181.26 g/mol
LogP2.37
Rot. Bonds1

About 4-(1,3-thiazol-5-yl)cyclohexan-1-one

4-(1,3-thiazol-5-yl)cyclohexan-1-one (PubChem CID 91501418) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is 4-(1,3-thiazol-5-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(1,3-thiazol-5-yl)cyclohexan-1-one
PubChem CID91501418
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name4-(1,3-thiazol-5-yl)cyclohexan-1-one
SMILESO=C1CCC(c2cncs2)CC1
InChIInChI=1S/C9H11NOS/c11-8-3-1-7(2-4-8)9-5-10-6-12-9/h5-7H,1-4H2
InChIKeyKLACSXOGUAHIMN-UHFFFAOYSA-N
XLogP2.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-5-yl)cyclohexan-1-one?
The IUPAC name of 4-(1,3-thiazol-5-yl)cyclohexan-1-one (CID 91501418) is 4-(1,3-thiazol-5-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(1,3-thiazol-5-yl)cyclohexan-1-one?
The canonical SMILES for 4-(1,3-thiazol-5-yl)cyclohexan-1-one is O=C1CCC(c2cncs2)CC1.
What is the InChIKey of 4-(1,3-thiazol-5-yl)cyclohexan-1-one?
The InChIKey is KLACSXOGUAHIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS/c11-8-3-1-7(2-4-8)9-5-10-6-12-9/h5-7H,1-4H2.
What are the key properties of 4-(1,3-thiazol-5-yl)cyclohexan-1-one?
4-(1,3-thiazol-5-yl)cyclohexan-1-one has a molecular weight of 181.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-5-yl)cyclohexan-1-one is sourced from PubChem (CID 91501418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).