N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide

C21H21N5O2S — CID 46974905

IUPACN,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2nc(NC(=O)c3cn4cccc(C)c4n3)sc2c1
InChIInChI=1S/C21H21N5O2S/c1-4-25(5-2)20(28)14-8-9-15-17(11-14)29-21(23-15)24-19(27)16-12-26-10-6-7-13(3)18(26)22-16/h6-12H,4-5H2,1-3H3,(H,23,24,27)
InChIKeyFPRUHWJNIKPZJK-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.99
Rot. Bonds5

About N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide

N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide (PubChem CID 46974905) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide
PubChem CID46974905
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide
SMILESCCN(CC)C(=O)c1ccc2nc(NC(=O)c3cn4cccc(C)c4n3)sc2c1
InChIInChI=1S/C21H21N5O2S/c1-4-25(5-2)20(28)14-8-9-15-17(11-14)29-21(23-15)24-19(27)16-12-26-10-6-7-13(3)18(26)22-16/h6-12H,4-5H2,1-3H3,(H,23,24,27)
InChIKeyFPRUHWJNIKPZJK-UHFFFAOYSA-N
XLogP3.99
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide (CID 46974905) is N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide is CCN(CC)C(=O)c1ccc2nc(NC(=O)c3cn4cccc(C)c4n3)sc2c1.
What is the InChIKey of N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide?
The InChIKey is FPRUHWJNIKPZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-4-25(5-2)20(28)14-8-9-15-17(11-14)29-21(23-15)24-19(27)16-12-26-10-6-7-13(3)18(26)22-16/h6-12H,4-5H2,1-3H3,(H,23,24,27).
What are the key properties of N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide?
N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(8-methylimidazo[1,2-a]pyridine-2-carbonyl)amino]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 46974905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).