2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

C18H19N3OS — CID 82062419

IUPAC2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCCOc1ccc(-c2csc3nc(C(C)C)c(CC#N)n23)cc1
InChIInChI=1S/C18H19N3OS/c1-4-22-14-7-5-13(6-8-14)16-11-23-18-20-17(12(2)3)15(9-10-19)21(16)18/h5-8,11-12H,4,9H2,1-3H3
InChIKeyDKDVFDLMCYRLOP-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.65
Rot. Bonds5

About 2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 82062419) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID82062419
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCCOc1ccc(-c2csc3nc(C(C)C)c(CC#N)n23)cc1
InChIInChI=1S/C18H19N3OS/c1-4-22-14-7-5-13(6-8-14)16-11-23-18-20-17(12(2)3)15(9-10-19)21(16)18/h5-8,11-12H,4,9H2,1-3H3
InChIKeyDKDVFDLMCYRLOP-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

2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210624
2-(6-propan-2-yl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062494
2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062405
2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062481
2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062511
6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198664
2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062421
2-[2-(4-ethoxyphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060561
2-[6-tert-butyl-3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062401
2-[3-(3,4-dimethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062331
2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062473
13-(4-ethoxyphenyl)-15-thia-8,12,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,13,16-heptaen-11-one
CID 23880567

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 82062419) is 2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is CCOc1ccc(-c2csc3nc(C(C)C)c(CC#N)n23)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is DKDVFDLMCYRLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-4-22-14-7-5-13(6-8-14)16-11-23-18-20-17(12(2)3)15(9-10-19)21(16)18/h5-8,11-12H,4,9H2,1-3H3.
What are the key properties of 2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[3-(4-ethoxyphenyl)-6-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-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82062419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).