1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one

C13H19NOS — CID 116886443

IUPAC1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one
SMILESCC(=O)Cc1sc(C2CCCCC2)nc1C
InChIInChI=1S/C13H19NOS/c1-9(15)8-12-10(2)14-13(16-12)11-6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKeyAGIGQJWQGLHCEH-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.63
Rot. Bonds3

About 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one

1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one (PubChem CID 116886443) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one
PubChem CID116886443
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one
SMILESCC(=O)Cc1sc(C2CCCCC2)nc1C
InChIInChI=1S/C13H19NOS/c1-9(15)8-12-10(2)14-13(16-12)11-6-4-3-5-7-11/h11H,3-8H2,1-2H3
InChIKeyAGIGQJWQGLHCEH-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-cycloheptyl-4-methyl-1,3-thiazol-5-yl)methanamine
CID 65400000
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 62403369
N-[(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 62403380
methyl 2-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]acetate
CID 116886348
2-cyclohexyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885195
2-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 116885510
2-cyclobutyl-4-methyl-1,3-thiazole-5-carboxylic acid
CID 64982497
2-(2-cyclobutyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
CID 116884572
2-[4-methyl-2-(oxolan-2-yl)-1,3-thiazol-5-yl]acetic acid
CID 65331290
1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone
CID 82432421
(2-cyclohexyl-4-ethyl-1,3-thiazol-5-yl)methanol
CID 82429624
4-[4-methyl-2-(oxan-4-yl)-1,3-thiazol-5-yl]butanoic acid
CID 116885464

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one (CID 116886443) is 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one is CC(=O)Cc1sc(C2CCCCC2)nc1C.
What is the InChIKey of 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one?
The InChIKey is AGIGQJWQGLHCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-9(15)8-12-10(2)14-13(16-12)11-6-4-3-5-7-11/h11H,3-8H2,1-2H3.
What are the key properties of 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one?
1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one has a molecular weight of 237.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-4-methyl-1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 116886443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).