4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol

C13H16N2OS — CID 116966606

IUPAC4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol
SMILESOC1CCC(c2nc(-c3ccc[nH]3)cs2)CC1
InChIInChI=1S/C13H16N2OS/c16-10-5-3-9(4-6-10)13-15-12(8-17-13)11-2-1-7-14-11/h1-2,7-10,14,16H,3-6H2
InChIKeyQNRYGBOBOUCKNQ-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.16
Rot. Bonds2

About 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol

4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol (PubChem CID 116966606) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol
PubChem CID116966606
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol
SMILESOC1CCC(c2nc(-c3ccc[nH]3)cs2)CC1
InChIInChI=1S/C13H16N2OS/c16-10-5-3-9(4-6-10)13-15-12(8-17-13)11-2-1-7-14-11/h1-2,7-10,14,16H,3-6H2
InChIKeyQNRYGBOBOUCKNQ-UHFFFAOYSA-N
XLogP3.16
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S,12aS)-9-fluoro-1,2,3,4,12,12a-hexahydropyrido[1,2-b][2]benzazepin-3-yl]-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 89735942
4-Phenyl-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 135407254
[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanol
CID 136128301
3-[(2S)-2-(ethylideneamino)-2-(1,3-thiazol-4-yl)ethyl]-6,7-dihydro-1H-indol-5-ol
CID 142207678
N-[(Z)-1-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-2-(cyclopropylmethoxy)ethenyl]methanimine;propane
CID 156716560
1-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-N-[(Z)-but-2-en-2-yl]-2-methylbutan-1-imine;4-ethyloxane;propane
CID 156716594
(1E)-1-[5-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-6-methylidene-3-pyridinylidene]ethanol;butane;ethane;2-methylbutane;3-methyloctane;propane
CID 156716787
(1E)-1-[5-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-6-methylidene-3-pyridinylidene]ethanol;butane;2,3-dimethyloctane;propane
CID 156716794
(1E)-1-[5-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-6-methylidene-3-pyridinylidene]ethanol;butane;3-ethyloctane;propane
CID 156716965
1-[4-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]-2-methyl-N-(2-methylprop-1-enyl)butan-1-imine;4-ethyloxane;propane
CID 156716998
(3R,5S)-5-[5-[3-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-pyrrol-2-yl]pyrrolidin-3-ol
CID 169620897
[4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 24274619

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol (CID 116966606) is 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol is OC1CCC(c2nc(-c3ccc[nH]3)cs2)CC1.
What is the InChIKey of 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol?
The InChIKey is QNRYGBOBOUCKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-10-5-3-9(4-6-10)13-15-12(8-17-13)11-2-1-7-14-11/h1-2,7-10,14,16H,3-6H2.
What are the key properties of 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol?
4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 116966606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).