1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone

C17H19NO2S — CID 103449748

IUPAC1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nc(-c2ccccc2)cs1)C1(O)CCCCC1
InChIInChI=1S/C17H19NO2S/c19-15(17(20)9-5-2-6-10-17)11-16-18-14(12-21-16)13-7-3-1-4-8-13/h1,3-4,7-8,12,20H,2,5-6,9-11H2
InChIKeyBUFQRCYPGBQKPQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.62
Rot. Bonds4

About 1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone

1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone (PubChem CID 103449748) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
PubChem CID103449748
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
SMILESO=C(Cc1nc(-c2ccccc2)cs1)C1(O)CCCCC1
InChIInChI=1S/C17H19NO2S/c19-15(17(20)9-5-2-6-10-17)11-16-18-14(12-21-16)13-7-3-1-4-8-13/h1,3-4,7-8,12,20H,2,5-6,9-11H2
InChIKeyBUFQRCYPGBQKPQ-UHFFFAOYSA-N
XLogP3.62
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 116601053
1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 63934325
[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
CID 62900743
1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 62900910
3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol
CID 79820158
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
2-(4-phenyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanone
CID 102923178
4-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-one
CID 113391216
2-[4-(4-benzylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4566516
1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 133447637
2-(4-phenyl-1,3-thiazol-2-yl)-1-(thiadiazol-4-yl)ethanone
CID 105113691
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone (CID 103449748) is 1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone is O=C(Cc1nc(-c2ccccc2)cs1)C1(O)CCCCC1.
What is the InChIKey of 1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is BUFQRCYPGBQKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-15(17(20)9-5-2-6-10-17)11-16-18-14(12-21-16)13-7-3-1-4-8-13/h1,3-4,7-8,12,20H,2,5-6,9-11H2.
What are the key properties of 1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone?
1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 301.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 103449748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).