2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

C17H15N3S — CID 82060234

IUPAC2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESN#CCc1c(-c2ccc3c(c2)CCCC3)nc2sccn12
InChIInChI=1S/C17H15N3S/c18-8-7-15-16(19-17-20(15)9-10-21-17)14-6-5-12-3-1-2-4-13(12)11-14/h5-6,9-11H,1-4,7H2
InChIKeyLMCIEOCNTYLYNB-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.01
Rot. Bonds2

About 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile

2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (PubChem CID 82060234) has the molecular formula C17H15N3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
PubChem CID82060234
Molecular FormulaC17H15N3S
Molecular Weight293.39 g/mol
Exact Mass293.10
IUPAC Name2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile
SMILESN#CCc1c(-c2ccc3c(c2)CCCC3)nc2sccn12
InChIInChI=1S/C17H15N3S/c18-8-7-15-16(19-17-20(15)9-10-21-17)14-6-5-12-3-1-2-4-13(12)11-14/h5-6,9-11H,1-4,7H2
InChIKeyLMCIEOCNTYLYNB-UHFFFAOYSA-N
XLogP4.01
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The IUPAC name of 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile (CID 82060234) is 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is N#CCc1c(-c2ccc3c(c2)CCCC3)nc2sccn12.
What is the InChIKey of 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
The InChIKey is LMCIEOCNTYLYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S/c18-8-7-15-16(19-17-20(15)9-10-21-17)14-6-5-12-3-1-2-4-13(12)11-14/h5-6,9-11H,1-4,7H2.
What are the key properties of 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile?
2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile has a molecular weight of 293.39 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5,6,7,8-tetrahydronaphthalen-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetonitrile is sourced from PubChem (CID 82060234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).