2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

C18H13N3OS — CID 93210749

IUPAC2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCc1ccc(-c2nc3scc(-c4ccco4)n3c2CC#N)cc1
InChIInChI=1S/C18H13N3OS/c1-12-4-6-13(7-5-12)17-14(8-9-19)21-15(11-23-18(21)20-17)16-3-2-10-22-16/h2-7,10-11H,8H2,1H3
InChIKeySBNQTDVGONPIHR-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.70
Rot. Bonds3

About 2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 93210749) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID93210749
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCc1ccc(-c2nc3scc(-c4ccco4)n3c2CC#N)cc1
InChIInChI=1S/C18H13N3OS/c1-12-4-6-13(7-5-12)17-14(8-9-19)21-15(11-23-18(21)20-17)16-3-2-10-22-16/h2-7,10-11H,8H2,1H3
InChIKeySBNQTDVGONPIHR-UHFFFAOYSA-N
XLogP4.70
TPSA54.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,6-bis(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210596
2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062667
2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210700
2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062421
2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062405
2-[6-(furan-2-yl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062327
6-(4-chloro-3-methylphenyl)-3-(furan-2-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82036161
3-(4-ethylphenyl)-6-(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216173
3-(furan-2-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068730
2-(6-propan-2-yl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062494
2-[6-(furan-2-yl)-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062382
6-(furan-2-yl)-3-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216185

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 93210749) is 2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is Cc1ccc(-c2nc3scc(-c4ccco4)n3c2CC#N)cc1.
What is the InChIKey of 2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is SBNQTDVGONPIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-12-4-6-13(7-5-12)17-14(8-9-19)21-15(11-23-18(21)20-17)16-3-2-10-22-16/h2-7,10-11H,8H2,1H3.
What are the key properties of 2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile has a molecular weight of 319.39 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 93210749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).