2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

C18H19N3OS — CID 82062481

IUPAC2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCCOc1ccccc1-c1nc2scc(C(C)C)n2c1CC#N
InChIInChI=1S/C18H19N3OS/c1-4-22-16-8-6-5-7-13(16)17-14(9-10-19)21-15(12(2)3)11-23-18(21)20-17/h5-8,11-12H,4,9H2,1-3H3
InChIKeyKIUDTBGLMHFKFF-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.65
Rot. Bonds5

About 2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 82062481) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID82062481
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCCOc1ccccc1-c1nc2scc(C(C)C)n2c1CC#N
InChIInChI=1S/C18H19N3OS/c1-4-22-16-8-6-5-7-13(16)17-14(9-10-19)21-15(12(2)3)11-23-18(21)20-17/h5-8,11-12H,4,9H2,1-3H3
InChIKeyKIUDTBGLMHFKFF-UHFFFAOYSA-N
XLogP4.65
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethoxyphenyl)-2-[(5-methyl-1H-imidazol-4-yl)methyl]-1,3-thiazole
CID 14742529
N-butyl-N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenoxy)propyl]butan-1-amine;dihydrochloride
CID 14201470
N-butyl-N-[3-[4-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenoxy]propyl]butan-1-amine;dihydrochloride
CID 14201523
3-(4-methoxyphenyl)-6-phenyl-N-(2,4,4-trimethylpentan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 102310653
3-(2-Methoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole
CID 118723465
Imidazo[2,1-b]thiazole, 6-(2-methoxyphenyl)-
CID 477917
3,5-Dimethyl-7-[1-(3-phenoxypropyl)piperidin-4-yl]imidazo[5,1-b][1,3]thiazole
CID 92564172
N-tert-butyl-6-(4-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 118715020
N-butyl-N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenoxy)propyl]butan-1-amine
CID 14201469
N-butyl-N-[3-[4-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenoxy]propyl]butan-1-amine
CID 14201522
6-(2-fluoro-6-methoxyphenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59578848
N-cyclohexyl-6-(2-fluoro-6-methoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59578883

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 82062481) is 2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is CCOc1ccccc1-c1nc2scc(C(C)C)n2c1CC#N.
What is the InChIKey of 2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is KIUDTBGLMHFKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-4-22-16-8-6-5-7-13(16)17-14(9-10-19)21-15(12(2)3)11-23-18(21)20-17/h5-8,11-12H,4,9H2,1-3H3.
What are the key properties of 2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile has a molecular weight of 325.44 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82062481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).