(1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol

C12H19NOS — CID 22843366

IUPAC(1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESO[C@H](CCC1CCCCC1)c1nccs1
InChIInChI=1S/C12H19NOS/c14-11(12-13-8-9-15-12)7-6-10-4-2-1-3-5-10/h8-11,14H,1-7H2/t11-/m1/s1
InChIKeyDKJXWZPGNFHMRF-LLVKDONJSA-N
MW225.36 g/mol
LogP3.54
Rot. Bonds4

About (1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol

(1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 22843366) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is (1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID22843366
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name(1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESO[C@H](CCC1CCCCC1)c1nccs1
InChIInChI=1S/C12H19NOS/c14-11(12-13-8-9-15-12)7-6-10-4-2-1-3-5-10/h8-11,14H,1-7H2/t11-/m1/s1
InChIKeyDKJXWZPGNFHMRF-LLVKDONJSA-N
XLogP3.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1,5-dicyclohexylpentan-3-ol
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3-cyclohexyl-1-(2,6-dimethoxyphenyl)propan-1-ol
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2-(1-bromo-3-cyclohexylpropyl)-3-chlorothiophene
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CID 55197705

Frequently Asked Questions

What is the IUPAC name of (1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of (1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol (CID 22843366) is (1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for (1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for (1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol is O[C@H](CCC1CCCCC1)c1nccs1.
What is the InChIKey of (1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is DKJXWZPGNFHMRF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NOS/c14-11(12-13-8-9-15-12)7-6-10-4-2-1-3-5-10/h8-11,14H,1-7H2/t11-/m1/s1.
What are the key properties of (1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol?
(1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 225.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-cyclohexyl-1-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 22843366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).