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

C18H19N3S — CID 93210624

IUPAC2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCCc1ccc(-c2csc3nc(C(C)C)c(CC#N)n23)cc1
InChIInChI=1S/C18H19N3S/c1-4-13-5-7-14(8-6-13)16-11-22-18-20-17(12(2)3)15(9-10-19)21(16)18/h5-8,11-12H,4,9H2,1-3H3
InChIKeyOUZRWJBWVPIPGV-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.81
Rot. Bonds4

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

2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 93210624) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID93210624
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCCc1ccc(-c2csc3nc(C(C)C)c(CC#N)n23)cc1
InChIInChI=1S/C18H19N3S/c1-4-13-5-7-14(8-6-13)16-11-22-18-20-17(12(2)3)15(9-10-19)21(16)18/h5-8,11-12H,4,9H2,1-3H3
InChIKeyOUZRWJBWVPIPGV-UHFFFAOYSA-N
XLogP4.81
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-propan-2-yl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062494
2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062419
2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062405
2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062511
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
2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210749
2-[6-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062481
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetonitrile
CID 24703190
3-(4-ethylphenyl)-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216173
2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 93210732

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 93210624) is 2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is CCc1ccc(-c2csc3nc(C(C)C)c(CC#N)n23)cc1.
What is the InChIKey of 2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is OUZRWJBWVPIPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-4-13-5-7-14(8-6-13)16-11-22-18-20-17(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-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile has a molecular weight of 309.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 93210624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).