2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

C17H17N3S — CID 82062405

IUPAC2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCc1nc2scc(-c3ccc(C(C)C)cc3)n2c1CC#N
InChIInChI=1S/C17H17N3S/c1-11(2)13-4-6-14(7-5-13)16-10-21-17-19-12(3)15(8-9-18)20(16)17/h4-7,10-11H,8H2,1-3H3
InChIKeyXKLSPGNTILCYSB-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.56
Rot. Bonds3

About 2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 82062405) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID82062405
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCc1nc2scc(-c3ccc(C(C)C)cc3)n2c1CC#N
InChIInChI=1S/C17H17N3S/c1-11(2)13-4-6-14(7-5-13)16-10-21-17-19-12(3)15(8-9-18)20(16)17/h4-7,10-11H,8H2,1-3H3
InChIKeyXKLSPGNTILCYSB-UHFFFAOYSA-N
XLogP4.56
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.56
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-ethylphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210624
2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062421
2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062419
2-[6-tert-butyl-3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062401
2-[3-(4-bromophenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194860
2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 93210732
2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210700
3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068410
2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062489
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 82062405) is 2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is Cc1nc2scc(-c3ccc(C(C)C)cc3)n2c1CC#N.
What is the InChIKey of 2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is XKLSPGNTILCYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-11(2)13-4-6-14(7-5-13)16-10-21-17-19-12(3)15(8-9-18)20(16)17/h4-7,10-11H,8H2,1-3H3.
What are the key properties of 2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile has a molecular weight of 295.41 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82062405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).