3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid

C15H18N2O3S — CID 57374437

IUPAC3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
SMILESCC1CCC(Oc2nc3sccn3c2C=CC(=O)O)CC1
InChIInChI=1S/C15H18N2O3S/c1-10-2-4-11(5-3-10)20-14-12(6-7-13(18)19)17-8-9-21-15(17)16-14/h6-11H,2-5H2,1H3,(H,18,19)
InChIKeyYGMSYDZLANMVEG-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.45
Rot. Bonds4

About 3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid

3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid (PubChem CID 57374437) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
PubChem CID57374437
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
SMILESCC1CCC(Oc2nc3sccn3c2C=CC(=O)O)CC1
InChIInChI=1S/C15H18N2O3S/c1-10-2-4-11(5-3-10)20-14-12(6-7-13(18)19)17-8-9-21-15(17)16-14/h6-11H,2-5H2,1H3,(H,18,19)
InChIKeyYGMSYDZLANMVEG-UHFFFAOYSA-N
XLogP3.45
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[6-(4-methylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 16780343
6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16779941
(E)-3-[6-(4-methylpentan-2-yloxy)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 16780597
(E)-3-[6-(1-methylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 116793182
3-[6-(2,3-dimethylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 76936234
3-[6-[cyclopropyl(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 76904438
3-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 2760659
(E)-3-[6-[methyl(propyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 43475804
(E)-3-[6-[[2-(dimethylamino)-2-oxoethyl]-methylamino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 43475821
3-[6-(3,5-dioxopiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 77111303
3-[6-(3,4,5-trimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 61236656
(E)-3-[6-[butyl(ethyl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 43475756

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
The IUPAC name of 3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid (CID 57374437) is 3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid.
What is the SMILES notation for 3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
The canonical SMILES for 3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid is CC1CCC(Oc2nc3sccn3c2C=CC(=O)O)CC1.
What is the InChIKey of 3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
The InChIKey is YGMSYDZLANMVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10-2-4-11(5-3-10)20-14-12(6-7-13(18)19)17-8-9-21-15(17)16-14/h6-11H,2-5H2,1H3,(H,18,19).
What are the key properties of 3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid has a molecular weight of 306.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid is sourced from PubChem (CID 57374437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).