methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

C18H20N2O3S — CID 19224558

IUPACmethyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCc1c(C(=O)OC)sc2nc(-c3ccc(OC(C)C)cc3)cn12
InChIInChI=1S/C18H20N2O3S/c1-5-15-16(17(21)22-4)24-18-19-14(10-20(15)18)12-6-8-13(9-7-12)23-11(2)3/h6-11H,5H2,1-4H3
InChIKeyVCWBEQBJBIBYBT-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.20
Rot. Bonds5

About methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate

methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (PubChem CID 19224558) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
PubChem CID19224558
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Namemethyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
SMILESCCc1c(C(=O)OC)sc2nc(-c3ccc(OC(C)C)cc3)cn12
InChIInChI=1S/C18H20N2O3S/c1-5-15-16(17(21)22-4)24-18-19-14(10-20(15)18)12-6-8-13(9-7-12)23-11(2)3/h6-11H,5H2,1-4H3
InChIKeyVCWBEQBJBIBYBT-UHFFFAOYSA-N
XLogP4.20
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate with MolForge

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Related Compounds

methyl 3-ethyl-6-(4-ethylphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224550
methyl 6-(3,4-dimethylphenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224554
6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171
6-(4-bromophenyl)-3-ethylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035256
3,5-diethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035646
ethyl 6-(4-ethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
CID 19224535
6-(4-methoxyphenyl)-3-methyl-N,N-dipropylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 20861721
3-(methoxymethyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82227759
2-pentan-3-yl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209493
6-(4-ethoxyphenyl)-3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035586
2-ethylsulfanyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 19209914
2-(4-ethylphenyl)-6-methoxyimidazo[2,1-b][1,3]benzothiazole
CID 19209631

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The IUPAC name of methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate (CID 19224558) is methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate.
What is the SMILES notation for methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The canonical SMILES for methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is CCc1c(C(=O)OC)sc2nc(-c3ccc(OC(C)C)cc3)cn12.
What is the InChIKey of methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
The InChIKey is VCWBEQBJBIBYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-5-15-16(17(21)22-4)24-18-19-14(10-20(15)18)12-6-8-13(9-7-12)23-11(2)3/h6-11H,5H2,1-4H3.
What are the key properties of methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate?
methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate has a molecular weight of 344.44 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-6-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazole-2-carboxylate is sourced from PubChem (CID 19224558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).