4-(3-methylcyclohexyl)-1,2-thiazol-3-one

C10H15NOS — CID 141205940

IUPAC4-(3-methylcyclohexyl)-1,2-thiazol-3-one
SMILESCC1CCCC(c2cs[nH]c2=O)C1
InChIInChI=1S/C10H15NOS/c1-7-3-2-4-8(5-7)9-6-13-11-10(9)12/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyGQLOQZSFLMXEHL-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.73
Rot. Bonds1

About 4-(3-methylcyclohexyl)-1,2-thiazol-3-one

4-(3-methylcyclohexyl)-1,2-thiazol-3-one (PubChem CID 141205940) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)-1,2-thiazol-3-one.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)-1,2-thiazol-3-one
PubChem CID141205940
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name4-(3-methylcyclohexyl)-1,2-thiazol-3-one
SMILESCC1CCCC(c2cs[nH]c2=O)C1
InChIInChI=1S/C10H15NOS/c1-7-3-2-4-8(5-7)9-6-13-11-10(9)12/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyGQLOQZSFLMXEHL-UHFFFAOYSA-N
XLogP2.73
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)-1,2-thiazol-3-one?
The IUPAC name of 4-(3-methylcyclohexyl)-1,2-thiazol-3-one (CID 141205940) is 4-(3-methylcyclohexyl)-1,2-thiazol-3-one.
What is the SMILES notation for 4-(3-methylcyclohexyl)-1,2-thiazol-3-one?
The canonical SMILES for 4-(3-methylcyclohexyl)-1,2-thiazol-3-one is CC1CCCC(c2cs[nH]c2=O)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)-1,2-thiazol-3-one?
The InChIKey is GQLOQZSFLMXEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7-3-2-4-8(5-7)9-6-13-11-10(9)12/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-(3-methylcyclohexyl)-1,2-thiazol-3-one?
4-(3-methylcyclohexyl)-1,2-thiazol-3-one has a molecular weight of 197.30 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)-1,2-thiazol-3-one is sourced from PubChem (CID 141205940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).