2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

C14H9Cl2N3S — CID 93210700

IUPAC2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCc1csc2nc(-c3ccc(Cl)c(Cl)c3)c(CC#N)n12
InChIInChI=1S/C14H9Cl2N3S/c1-8-7-20-14-18-13(12(4-5-17)19(8)14)9-2-3-10(15)11(16)6-9/h2-3,6-7H,4H2,1H3
InChIKeyISDPDWZCAIAMGS-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.74
Rot. Bonds2

About 2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 93210700) has the molecular formula C14H9Cl2N3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID93210700
Molecular FormulaC14H9Cl2N3S
Molecular Weight322.22 g/mol
Exact Mass320.99
IUPAC Name2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCc1csc2nc(-c3ccc(Cl)c(Cl)c3)c(CC#N)n12
InChIInChI=1S/C14H9Cl2N3S/c1-8-7-20-14-18-13(12(4-5-17)19(8)14)9-2-3-10(15)11(16)6-9/h2-3,6-7H,4H2,1H3
InChIKeyISDPDWZCAIAMGS-UHFFFAOYSA-N
XLogP4.74
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062463
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-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062405
1-[4-(5-ethyl-3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]ethanamine
CID 82025704
2-[6-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82060231
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194938
6-(3-chlorophenyl)-3,5-dimethylimidazo[2,1-b][1,3]thiazole
CID 113225131
2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194944
2-[3-ethyl-2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062667
2-[6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210519
2-[3-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82062351

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 93210700) is 2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is Cc1csc2nc(-c3ccc(Cl)c(Cl)c3)c(CC#N)n12.
What is the InChIKey of 2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is ISDPDWZCAIAMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3S/c1-8-7-20-14-18-13(12(4-5-17)19(8)14)9-2-3-10(15)11(16)6-9/h2-3,6-7H,4H2,1H3.
What are the key properties of 2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile has a molecular weight of 322.22 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 93210700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).