(Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid

C18H18N2O3S — CID 19010591

IUPAC(Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid
SMILESCO/C=C(/Cc1csc2nc(-c3ccc(C)cc3C)cn12)C(=O)O
InChIInChI=1S/C18H18N2O3S/c1-11-4-5-15(12(2)6-11)16-8-20-14(10-24-18(20)19-16)7-13(9-23-3)17(21)22/h4-6,8-10H,7H2,1-3H3,(H,21,22)/b13-9-
InChIKeyZRBXWEJSQCNWJA-LCYFTJDESA-N
MW342.42 g/mol
LogP3.84
Rot. Bonds5

About (Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid

(Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid (PubChem CID 19010591) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is (Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid
PubChem CID19010591
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name(Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid
SMILESCO/C=C(/Cc1csc2nc(-c3ccc(C)cc3C)cn12)C(=O)O
InChIInChI=1S/C18H18N2O3S/c1-11-4-5-15(12(2)6-11)16-8-20-14(10-24-18(20)19-16)7-13(9-23-3)17(21)22/h4-6,8-10H,7H2,1-3H3,(H,21,22)/b13-9-
InChIKeyZRBXWEJSQCNWJA-LCYFTJDESA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-[[6-(phenoxymethyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]prop-2-enoic acid
CID 54242494
(Z)-2-[[6-[(4-chlorophenoxy)methyl]imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid
CID 19010601
N-[(2,5-dimethylphenyl)methyl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 53122608
3-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4263024
6-(2,4-dimethylphenyl)-3-(2-methylpropyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227755
2-[6-(2-bromophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetic acid
CID 43464903
4-[6-(3-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]butanoic acid
CID 80655201
N-(2,6-dimethylphenyl)-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 40509385
N-butyl-2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-phenylacetamide
CID 121038776
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 53036861
ethyl 2-[6-(2-ethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 19224615
N-[(3-methylphenyl)methyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 52566392

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid?
The IUPAC name of (Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid (CID 19010591) is (Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid.
What is the SMILES notation for (Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid?
The canonical SMILES for (Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid is CO/C=C(/Cc1csc2nc(-c3ccc(C)cc3C)cn12)C(=O)O.
What is the InChIKey of (Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid?
The InChIKey is ZRBXWEJSQCNWJA-LCYFTJDESA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11-4-5-15(12(2)6-11)16-8-20-14(10-24-18(20)19-16)7-13(9-23-3)17(21)22/h4-6,8-10H,7H2,1-3H3,(H,21,22)/b13-9-.
What are the key properties of (Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid?
(Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid has a molecular weight of 342.42 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[[6-(2,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]-3-methoxyprop-2-enoic acid is sourced from PubChem (CID 19010591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).