4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one

C11H15NOS — CID 116987123

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one
SMILESCc1nc(C2CCC(=O)CC2)sc1C
InChIInChI=1S/C11H15NOS/c1-7-8(2)14-11(12-7)9-3-5-10(13)6-4-9/h9H,3-6H2,1-2H3
InChIKeyMYGOIMOMDYHZOW-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.99
Rot. Bonds1

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one

4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one (PubChem CID 116987123) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one
PubChem CID116987123
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one
SMILESCc1nc(C2CCC(=O)CC2)sc1C
InChIInChI=1S/C11H15NOS/c1-7-8(2)14-11(12-7)9-3-5-10(13)6-4-9/h9H,3-6H2,1-2H3
InChIKeyMYGOIMOMDYHZOW-UHFFFAOYSA-N
XLogP2.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one (CID 116987123) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one is Cc1nc(C2CCC(=O)CC2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one?
The InChIKey is MYGOIMOMDYHZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-7-8(2)14-11(12-7)9-3-5-10(13)6-4-9/h9H,3-6H2,1-2H3.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one?
4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one has a molecular weight of 209.31 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)cyclohexan-1-one is sourced from PubChem (CID 116987123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).