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

C12H17NOS — CID 115796129

IUPAC1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1cncs1)CC1CCCCC1
InChIInChI=1S/C12H17NOS/c14-11(7-12-8-13-9-15-12)6-10-4-2-1-3-5-10/h8-10H,1-7H2
InChIKeyPWYMOZHAKMZKOU-UHFFFAOYSA-N
MW223.34 g/mol
LogP3.23
Rot. Bonds4

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

1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one (PubChem CID 115796129) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one
PubChem CID115796129
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one
SMILESO=C(Cc1cncs1)CC1CCCCC1
InChIInChI=1S/C12H17NOS/c14-11(7-12-8-13-9-15-12)6-10-4-2-1-3-5-10/h8-10H,1-7H2
InChIKeyPWYMOZHAKMZKOU-UHFFFAOYSA-N
XLogP3.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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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2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
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1,3-thiazol-5-ylmethyl cyclohexanecarboxylate
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4,4-dimethyl-1-(1,3-thiazol-5-yl)pentan-2-one
CID 112642314
1-(4-tert-butylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
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1-(4-ethylcyclohexyl)-2-(1,3-thiazol-5-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one?
The IUPAC name of 1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one (CID 115796129) is 1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one is O=C(Cc1cncs1)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one?
The InChIKey is PWYMOZHAKMZKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c14-11(7-12-8-13-9-15-12)6-10-4-2-1-3-5-10/h8-10H,1-7H2.
What are the key properties of 1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one?
1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one has a molecular weight of 223.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1,3-thiazol-5-yl)propan-2-one is sourced from PubChem (CID 115796129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).