2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide

C17H14N4OS — CID 43952367

IUPAC2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)Nc1nc2c(C)cccc2s1
InChIInChI=1S/C17H14N4OS/c1-10-6-5-7-12-14(10)19-17(23-12)20-16(22)15-11(2)18-13-8-3-4-9-21(13)15/h3-9H,1-2H3,(H,19,20,22)
InChIKeyLTPFJCSBUFBXIA-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.81
Rot. Bonds2

About 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide

2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 43952367) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID43952367
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)Nc1nc2c(C)cccc2s1
InChIInChI=1S/C17H14N4OS/c1-10-6-5-7-12-14(10)19-17(23-12)20-16(22)15-11(2)18-13-8-3-4-9-21(13)15/h3-9H,1-2H3,(H,19,20,22)
InChIKeyLTPFJCSBUFBXIA-UHFFFAOYSA-N
XLogP3.81
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide (CID 43952367) is 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)Nc1nc2c(C)cccc2s1.
What is the InChIKey of 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is LTPFJCSBUFBXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-10-6-5-7-12-14(10)19-17(23-12)20-16(22)15-11(2)18-13-8-3-4-9-21(13)15/h3-9H,1-2H3,(H,19,20,22).
What are the key properties of 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide?
2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 43952367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).