1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile

C15H22N2OS — CID 104772095

IUPAC1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
SMILESCc1csc(C(O)C2(C#N)CCC(C(C)C)CC2)n1
InChIInChI=1S/C15H22N2OS/c1-10(2)12-4-6-15(9-16,7-5-12)13(18)14-17-11(3)8-19-14/h8,10,12-13,18H,4-7H2,1-3H3
InChIKeyOLUILKOUKFORPA-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.84
Rot. Bonds3

About 1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile

1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile (PubChem CID 104772095) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
PubChem CID104772095
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
SMILESCc1csc(C(O)C2(C#N)CCC(C(C)C)CC2)n1
InChIInChI=1S/C15H22N2OS/c1-10(2)12-4-6-15(9-16,7-5-12)13(18)14-17-11(3)8-19-14/h8,10,12-13,18H,4-7H2,1-3H3
InChIKeyOLUILKOUKFORPA-UHFFFAOYSA-N
XLogP3.84
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexane-1-carbonitrile
CID 104772097
3-ethyl-1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carbonitrile
CID 104772068
1-[hydroxy-(5-methylthiophen-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79137151
1-[hydroxy-(2-methyl-1,3-thiazol-4-yl)methyl]-4,4-dimethylcyclohexane-1-carbonitrile
CID 113472550
4-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydrochromene-4-carbonitrile
CID 104772088
2-[(2R)-but-3-yn-2-yl]-4-methyl-1,3-thiazole
CID 143800499
2-(cyclopentylamino)-2-(4-methyl-1,3-thiazol-2-yl)acetonitrile
CID 104770271
1-(1-hydroxy-3-methylsulfanylpropyl)-4-propan-2-ylcyclohexane-1-carbonitrile
CID 79131709
1-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55106298
1-(5-methylthiophen-3-yl)-4-propan-2-ylcyclohexan-1-amine
CID 65099403
(1R)-1-(4-methyl-1,3-thiazol-2-yl)propan-1-ol
CID 124594880
4-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile
CID 86981895

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile (CID 104772095) is 1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile is Cc1csc(C(O)C2(C#N)CCC(C(C)C)CC2)n1.
What is the InChIKey of 1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile?
The InChIKey is OLUILKOUKFORPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-10(2)12-4-6-15(9-16,7-5-12)13(18)14-17-11(3)8-19-14/h8,10,12-13,18H,4-7H2,1-3H3.
What are the key properties of 1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile?
1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile has a molecular weight of 278.42 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(4-methyl-1,3-thiazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 104772095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).