N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C22H24ClN5OS — CID 43961934

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCN(CC)CCN(C(=O)c1c(C)nc2ccccn12)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C22H24ClN5OS/c1-4-26(5-2)12-13-28(22-25-17-10-9-16(23)14-18(17)30-22)21(29)20-15(3)24-19-8-6-7-11-27(19)20/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyHECLKLIDDOAIED-UHFFFAOYSA-N
MW441.99 g/mol
LogP4.89
Rot. Bonds7

About N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 43961934) has the molecular formula C22H24ClN5OS and a molecular weight of 441.99 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID43961934
Molecular FormulaC22H24ClN5OS
Molecular Weight441.99 g/mol
Exact Mass441.14
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCN(CC)CCN(C(=O)c1c(C)nc2ccccn12)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C22H24ClN5OS/c1-4-26(5-2)12-13-28(22-25-17-10-9-16(23)14-18(17)30-22)21(29)20-15(3)24-19-8-6-7-11-27(19)20/h6-11,14H,4-5,12-13H2,1-3H3
InChIKeyHECLKLIDDOAIED-UHFFFAOYSA-N
XLogP4.89
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.99
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 43962585
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2,5-dimethylbenzamide
CID 41345224
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-methoxybenzamide
CID 7511395
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-methyl-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 43963380
4-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
CID 43959419
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7208441
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 41345194
3-butoxy-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]benzamide
CID 43959443
3-chloro-N-[2-(diethylamino)ethyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44925645
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-2-methylbenzamide
CID 7507632
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-(diethylsulfamoyl)benzamide;hydrochloride
CID 44925420
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-5-nitrobenzamide;hydrochloride
CID 44925513

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 43961934) is N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is CCN(CC)CCN(C(=O)c1c(C)nc2ccccn12)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is HECLKLIDDOAIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5OS/c1-4-26(5-2)12-13-28(22-25-17-10-9-16(23)14-18(17)30-22)21(29)20-15(3)24-19-8-6-7-11-27(19)20/h6-11,14H,4-5,12-13H2,1-3H3.
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 441.99 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 43961934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).