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

C15H13N3OS — CID 82062463

IUPAC2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCOc1ccccc1-c1nc2scc(C)n2c1CC#N
InChIInChI=1S/C15H13N3OS/c1-10-9-20-15-17-14(12(7-8-16)18(10)15)11-5-3-4-6-13(11)19-2/h3-6,9H,7H2,1-2H3
InChIKeyLZTBSJWYRMMSOV-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.45
Rot. Bonds3

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

2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 82062463) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID82062463
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCOc1ccccc1-c1nc2scc(C)n2c1CC#N
InChIInChI=1S/C15H13N3OS/c1-10-9-20-15-17-14(12(7-8-16)18(10)15)11-5-3-4-6-13(11)19-2/h3-6,9H,7H2,1-2H3
InChIKeyLZTBSJWYRMMSOV-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-(2-ethoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062481
2-[6-(3,4-dichlorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210700
2-[6-(2-methoxyphenyl)-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 93210828
2-(6-phenyl-3-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)acetonitrile
CID 82062473
2-[8-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82529459
2-[3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 39194918
2-[3-(furan-2-yl)-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 93210749
4-(2-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarbonitrile
CID 3721414
6-(furan-2-yl)-3-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 93216189
2-[6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210519
2-[3-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
CID 82062421
2-[6-(2-methoxyphenyl)-2-methyl-3-pyridinyl]acetonitrile
CID 82452851

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 82062463) is 2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is COc1ccccc1-c1nc2scc(C)n2c1CC#N.
What is the InChIKey of 2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is LZTBSJWYRMMSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10-9-20-15-17-14(12(7-8-16)18(10)15)11-5-3-4-6-13(11)19-2/h3-6,9H,7H2,1-2H3.
What are the key properties of 2-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[6-(2-methoxyphenyl)-3-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-[6-(2-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82062463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).