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

C16H15N3OS — CID 82062309

IUPAC2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCCOc1ccc(-c2c(C)sc3ncc(CC#N)n23)cc1
InChIInChI=1S/C16H15N3OS/c1-3-20-14-6-4-12(5-7-14)15-11(2)21-16-18-10-13(8-9-17)19(15)16/h4-7,10H,3,8H2,1-2H3
InChIKeyJYWLLZWQOXMHTQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.84
Rot. Bonds4

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

2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 82062309) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID82062309
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESCCOc1ccc(-c2c(C)sc3ncc(CC#N)n23)cc1
InChIInChI=1S/C16H15N3OS/c1-3-20-14-6-4-12(5-7-14)15-11(2)21-16-18-10-13(8-9-17)19(15)16/h4-7,10H,3,8H2,1-2H3
InChIKeyJYWLLZWQOXMHTQ-UHFFFAOYSA-N
XLogP3.84
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 82062309) is 2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is CCOc1ccc(-c2c(C)sc3ncc(CC#N)n23)cc1.
What is the InChIKey of 2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is JYWLLZWQOXMHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-3-20-14-6-4-12(5-7-14)15-11(2)21-16-18-10-13(8-9-17)19(15)16/h4-7,10H,3,8H2,1-2H3.
What are the key properties of 2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile has a molecular weight of 297.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-ethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82062309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).