N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide

C18H15N3OS — CID 127025880

IUPACN-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide
SMILESCc1nc2sc3ccccc3n2c1C(=O)NCc1ccccc1
InChIInChI=1S/C18H15N3OS/c1-12-16(17(22)19-11-13-7-3-2-4-8-13)21-14-9-5-6-10-15(14)23-18(21)20-12/h2-10H,11H2,1H3,(H,19,22)
InChIKeyKYPJSQPVIXOBGA-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.79
Rot. Bonds3

About N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide

N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide (PubChem CID 127025880) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide
PubChem CID127025880
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC NameN-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide
SMILESCc1nc2sc3ccccc3n2c1C(=O)NCc1ccccc1
InChIInChI=1S/C18H15N3OS/c1-12-16(17(22)19-11-13-7-3-2-4-8-13)21-14-9-5-6-10-15(14)23-18(21)20-12/h2-10H,11H2,1H3,(H,19,22)
InChIKeyKYPJSQPVIXOBGA-UHFFFAOYSA-N
XLogP3.79
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide?
The IUPAC name of N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide (CID 127025880) is N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide.
What is the SMILES notation for N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide?
The canonical SMILES for N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide is Cc1nc2sc3ccccc3n2c1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide?
The InChIKey is KYPJSQPVIXOBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12-16(17(22)19-11-13-7-3-2-4-8-13)21-14-9-5-6-10-15(14)23-18(21)20-12/h2-10H,11H2,1H3,(H,19,22).
What are the key properties of N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide?
N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methylimidazo[2,1-b][1,3]benzothiazole-1-carboxamide is sourced from PubChem (CID 127025880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).