N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C23H26ClN5OS — CID 43962585

IUPACN-(5-chloro-4-methyl-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)c1nc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C23H26ClN5OS/c1-5-27(6-2)13-14-29(23-26-20-15(3)17(24)10-11-18(20)31-23)22(30)21-16(4)25-19-9-7-8-12-28(19)21/h7-12H,5-6,13-14H2,1-4H3
InChIKeyULYUSKFRQXQNPE-UHFFFAOYSA-N
MW456.02 g/mol
LogP5.20
Rot. Bonds7

About N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 43962585) has the molecular formula C23H26ClN5OS and a molecular weight of 456.02 g/mol. Its IUPAC name is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID43962585
Molecular FormulaC23H26ClN5OS
Molecular Weight456.02 g/mol
Exact Mass455.15
IUPAC NameN-(5-chloro-4-methyl-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)c1nc2c(C)c(Cl)ccc2s1
InChIInChI=1S/C23H26ClN5OS/c1-5-27(6-2)13-14-29(23-26-20-15(3)17(24)10-11-18(20)31-23)22(30)21-16(4)25-19-9-7-8-12-28(19)21/h7-12H,5-6,13-14H2,1-4H3
InChIKeyULYUSKFRQXQNPE-UHFFFAOYSA-N
XLogP5.20
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.02
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 43961934
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 43962587
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-4-ethylsulfonylbenzamide;hydrochloride
CID 44928636
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxyacetamide
CID 43961353
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-2-(5-chlorothiophen-2-yl)-N-[2-(diethylamino)ethyl]acetamide;hydrochloride
CID 44919521
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-3,4-diethoxybenzamide
CID 43961115
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 40888038
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
2,5-dichloro-N-[2-(diethylamino)ethyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44926763
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 43962582
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-(4-nitrophenyl)acetamide
CID 43961523
N-(4-chloro-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylbenzamide
CID 7511707

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 43962585) is N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-4-methyl-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)c1nc2c(C)c(Cl)ccc2s1.
What is the InChIKey of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ULYUSKFRQXQNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5OS/c1-5-27(6-2)13-14-29(23-26-20-15(3)17(24)10-11-18(20)31-23)22(30)21-16(4)25-19-9-7-8-12-28(19)21/h7-12H,5-6,13-14H2,1-4H3.
What are the key properties of N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 456.02 g/mol, XLogP of 5.20, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-[2-(diethylamino)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 43962585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).