2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde

C11H12N2OS — CID 14699444

IUPAC2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
SMILESCc1nc2sc3c(n2c1C=O)CCCC3
InChIInChI=1S/C11H12N2OS/c1-7-9(6-14)13-8-4-2-3-5-10(8)15-11(13)12-7/h6H,2-5H2,1H3
InChIKeySNPDIDRYWGBQOK-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.40
Rot. Bonds1

About 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde

2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde (PubChem CID 14699444) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
PubChem CID14699444
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde
SMILESCc1nc2sc3c(n2c1C=O)CCCC3
InChIInChI=1S/C11H12N2OS/c1-7-9(6-14)13-8-4-2-3-5-10(8)15-11(13)12-7/h6H,2-5H2,1H3
InChIKeySNPDIDRYWGBQOK-UHFFFAOYSA-N
XLogP2.40
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde (CID 14699444) is 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde is Cc1nc2sc3c(n2c1C=O)CCCC3.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
The InChIKey is SNPDIDRYWGBQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-7-9(6-14)13-8-4-2-3-5-10(8)15-11(13)12-7/h6H,2-5H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde?
2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde has a molecular weight of 220.30 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole-1-carbaldehyde is sourced from PubChem (CID 14699444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).