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

C15H13N3OS — CID 82062421

IUPAC2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCOc1cccc(-c2csc3nc(C)c(CC#N)n23)c1
InChIInChI=1S/C15H13N3OS/c1-10-13(6-7-16)18-14(9-20-15(18)17-10)11-4-3-5-12(8-11)19-2/h3-5,8-9H,6H2,1-2H3
InChIKeyNKYIRIQUBCPMCS-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.45
Rot. Bonds3

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

2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 82062421) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID82062421
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCOc1cccc(-c2csc3nc(C)c(CC#N)n23)c1
InChIInChI=1S/C15H13N3OS/c1-10-13(6-7-16)18-14(9-20-15(18)17-10)11-4-3-5-12(8-11)19-2/h3-5,8-9H,6H2,1-2H3
InChIKeyNKYIRIQUBCPMCS-UHFFFAOYSA-N
XLogP3.45
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-methyl-3-(4-propan-2-ylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062405
2-(3,6-dipyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 93210732
2-(6-tert-butyl-3-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062489
2-[6-tert-butyl-3-(3,4-dimethylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062401
2-(6-propan-2-yl-3-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062494
2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210749
3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82479018
2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile
CID 15099395
6-(2-ethoxyphenyl)-3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198900
2-[3-(4-ethoxyphenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062419
3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 13105911
[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219724

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 82062421) is 2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is COc1cccc(-c2csc3nc(C)c(CC#N)n23)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is NKYIRIQUBCPMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10-13(6-7-16)18-14(9-20-15(18)17-10)11-4-3-5-12(8-11)19-2/h3-5,8-9H,6H2,1-2H3.
What are the key properties of 2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile has a molecular weight of 283.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82062421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).