3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol

C18H26N2OS — CID 137499630

IUPAC3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol
SMILESCC(CC(O)c1c(C2CC2)sc2cncn12)C1CCCCC1
InChIInChI=1S/C18H26N2OS/c1-12(13-5-3-2-4-6-13)9-15(21)17-18(14-7-8-14)22-16-10-19-11-20(16)17/h10-15,21H,2-9H2,1H3
InChIKeyQTUSOWIRENUFCA-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.91
Rot. Bonds5

About 3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol

3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol (PubChem CID 137499630) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol
PubChem CID137499630
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC Name3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol
SMILESCC(CC(O)c1c(C2CC2)sc2cncn12)C1CCCCC1
InChIInChI=1S/C18H26N2OS/c1-12(13-5-3-2-4-6-13)9-15(21)17-18(14-7-8-14)22-16-10-19-11-20(16)17/h10-15,21H,2-9H2,1H3
InChIKeyQTUSOWIRENUFCA-UHFFFAOYSA-N
XLogP4.91
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-2-(3,3-difluorocyclohexyl)ethanol
CID 151502298
(1S)-2-cyclohexyl-1-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
CID 137499623
2-cyclopentyl-1-(2-methylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
CID 150328803
(1S)-2-cyclohexyl-1-(2-ethylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
CID 137499587
(2S)-2-(4-tert-butylcyclohexyl)-2-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)ethanol
CID 166769475
(S)-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-phenylcyclohexyl)methanol
CID 137499636
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-thiophen-2-ylmethanol
CID 150552671
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(4-methoxyphenyl)methanol
CID 137499693
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(3-methylphenyl)methanol
CID 137499577
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-(5-phenylthiophen-2-yl)methanol
CID 142621429
(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-[1-(4-methoxyphenyl)triazol-4-yl]methanol
CID 142621420
3-[4-[(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)-hydroxymethyl]triazol-1-yl]-5-methylphenol
CID 142621330

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol?
The IUPAC name of 3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol (CID 137499630) is 3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol.
What is the SMILES notation for 3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol?
The canonical SMILES for 3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol is CC(CC(O)c1c(C2CC2)sc2cncn12)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol?
The InChIKey is QTUSOWIRENUFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c1-12(13-5-3-2-4-6-13)9-15(21)17-18(14-7-8-14)22-16-10-19-11-20(16)17/h10-15,21H,2-9H2,1H3.
What are the key properties of 3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol?
3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol has a molecular weight of 318.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(2-cyclopropylimidazo[5,1-b][1,3]thiazol-3-yl)butan-1-ol is sourced from PubChem (CID 137499630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).