1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone

C14H21NOS — CID 82432421

IUPAC1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone
SMILESCCCc1nc(C2CCCCC2)sc1C(C)=O
InChIInChI=1S/C14H21NOS/c1-3-7-12-13(10(2)16)17-14(15-12)11-8-5-4-6-9-11/h11H,3-9H2,1-2H3
InChIKeySCGRUCPFDCBOMD-UHFFFAOYSA-N
MW251.39 g/mol
LogP4.35
Rot. Bonds4

About 1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone

1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone (PubChem CID 82432421) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone
PubChem CID82432421
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone
SMILESCCCc1nc(C2CCCCC2)sc1C(C)=O
InChIInChI=1S/C14H21NOS/c1-3-7-12-13(10(2)16)17-14(15-12)11-8-5-4-6-9-11/h11H,3-9H2,1-2H3
InChIKeySCGRUCPFDCBOMD-UHFFFAOYSA-N
XLogP4.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone (CID 82432421) is 1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone is CCCc1nc(C2CCCCC2)sc1C(C)=O.
What is the InChIKey of 1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone?
The InChIKey is SCGRUCPFDCBOMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-3-7-12-13(10(2)16)17-14(15-12)11-8-5-4-6-9-11/h11H,3-9H2,1-2H3.
What are the key properties of 1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone?
1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone has a molecular weight of 251.39 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-4-propyl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 82432421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).