1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone

C12H17NOS — CID 106829694

IUPAC1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1(C(=O)Cc2cncs2)CCCCC1
InChIInChI=1S/C12H17NOS/c1-12(5-3-2-4-6-12)11(14)7-10-8-13-9-15-10/h8-9H,2-7H2,1H3
InChIKeyQERWPJUBUHVEQP-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.23
Rot. Bonds3

About 1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone

1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 106829694) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
PubChem CID106829694
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
SMILESCC1(C(=O)Cc2cncs2)CCCCC1
InChIInChI=1S/C12H17NOS/c1-12(5-3-2-4-6-12)11(14)7-10-8-13-9-15-10/h8-9H,2-7H2,1H3
InChIKeyQERWPJUBUHVEQP-UHFFFAOYSA-N
XLogP3.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 106782526
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CID 106784057
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CID 106784116
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CID 106784124
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CID 106784129
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CID 106829764
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CID 113683659
CID 113683659

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone (CID 106829694) is 1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone is CC1(C(=O)Cc2cncs2)CCCCC1.
What is the InChIKey of 1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is QERWPJUBUHVEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-12(5-3-2-4-6-12)11(14)7-10-8-13-9-15-10/h8-9H,2-7H2,1H3.
What are the key properties of 1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone?
1-(1-methylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 223.34 g/mol, XLogP of 3.23, 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-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 106829694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).