(E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid

C18H18N2O3S — CID 39196278

IUPAC(E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
SMILESCc1nc2scc(-c3ccc(OC(C)C)cc3)n2c1/C=C/C(=O)O
InChIInChI=1S/C18H18N2O3S/c1-11(2)23-14-6-4-13(5-7-14)16-10-24-18-19-12(3)15(20(16)18)8-9-17(21)22/h4-11H,1-3H3,(H,21,22)/b9-8+
InChIKeyGIMUQLYIUUSYDD-CMDGGOBGSA-N
MW342.42 g/mol
LogP4.26
Rot. Bonds5

About (E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid

(E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid (PubChem CID 39196278) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is (E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
PubChem CID39196278
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name(E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
SMILESCc1nc2scc(-c3ccc(OC(C)C)cc3)n2c1/C=C/C(=O)O
InChIInChI=1S/C18H18N2O3S/c1-11(2)23-14-6-4-13(5-7-14)16-10-24-18-19-12(3)15(20(16)18)8-9-17(21)22/h4-11H,1-3H3,(H,21,22)/b9-8+
InChIKeyGIMUQLYIUUSYDD-CMDGGOBGSA-N
XLogP4.26
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.26
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-[7-methyl-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195945
3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068426
(E)-3-[3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 39196378
3-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198971
3-methyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068664
6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198664
(E)-3-[3-(4-bromophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 39196382
(E)-3-(2,3,6-trimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoic acid
CID 39196124
(E)-3-[6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 39196340
[6-methyl-3-[4-(2-methylprop-2-enoxy)phenyl]imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196762
3,5-dimethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 75357349
3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199016

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid (CID 39196278) is (E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid is Cc1nc2scc(-c3ccc(OC(C)C)cc3)n2c1/C=C/C(=O)O.
What is the InChIKey of (E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
The InChIKey is GIMUQLYIUUSYDD-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11(2)23-14-6-4-13(5-7-14)16-10-24-18-19-12(3)15(20(16)18)8-9-17(21)22/h4-11H,1-3H3,(H,21,22)/b9-8+.
What are the key properties of (E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid?
(E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid has a molecular weight of 342.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid is sourced from PubChem (CID 39196278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).