1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C13H19NOS — CID 106829673

IUPAC1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)C2(C)CCCCC2)n1
InChIInChI=1S/C13H19NOS/c1-10-9-16-12(14-10)8-11(15)13(2)6-4-3-5-7-13/h9H,3-8H2,1-2H3
InChIKeyZWZMHIUUUREIEU-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.53
Rot. Bonds3

About 1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone

1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 106829673) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID106829673
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCc1csc(CC(=O)C2(C)CCCCC2)n1
InChIInChI=1S/C13H19NOS/c1-10-9-16-12(14-10)8-11(15)13(2)6-4-3-5-7-13/h9H,3-8H2,1-2H3
InChIKeyZWZMHIUUUREIEU-UHFFFAOYSA-N
XLogP3.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxycyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116748212
1-(1-ethylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115789251
1-(1-ethoxycycloheptyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116750853
1-[1-(aminomethyl)cyclohexyl]-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116614454
1-(2-amino-1-methylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116607345
2-(4-methyl-1,3-thiazol-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982126
1-(1-aminocyclobutyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-one
CID 116591347
1-(4-aminooxan-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116604713
1-(2,2-dimethylcyclopropyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 107003979
CID 131842856
CID 131842856
1-(1-ethoxy-4-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116749499
N-cyclohexyl-N-methyl-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110484514

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 106829673) is 1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is Cc1csc(CC(=O)C2(C)CCCCC2)n1.
What is the InChIKey of 1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is ZWZMHIUUUREIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-9-16-12(14-10)8-11(15)13(2)6-4-3-5-7-13/h9H,3-8H2,1-2H3.
What are the key properties of 1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 237.37 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 106829673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).