4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide

C26H22ClN5O2S — CID 102265423

IUPAC4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C26H22ClN5O2S/c27-20-13-23(28-21-7-3-1-5-18(20)21)25(33)29-22-8-4-2-6-19(22)24-15-32-17(16-35-26(32)30-24)14-31-9-11-34-12-10-31/h1-8,13,15-16H,9-12,14H2,(H,29,33)
InChIKeyZMMYWSYKXJUYOB-UHFFFAOYSA-N
MW504.02 g/mol
LogP5.35
Rot. Bonds5

About 4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide

4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide (PubChem CID 102265423) has the molecular formula C26H22ClN5O2S and a molecular weight of 504.02 g/mol. Its IUPAC name is 4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide
PubChem CID102265423
Molecular FormulaC26H22ClN5O2S
Molecular Weight504.02 g/mol
Exact Mass503.12
IUPAC Name4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1)c1cc(Cl)c2ccccc2n1
InChIInChI=1S/C26H22ClN5O2S/c27-20-13-23(28-21-7-3-1-5-18(20)21)25(33)29-22-8-4-2-6-19(22)24-15-32-17(16-35-26(32)30-24)14-31-9-11-34-12-10-31/h1-8,13,15-16H,9-12,14H2,(H,29,33)
InChIKeyZMMYWSYKXJUYOB-UHFFFAOYSA-N
XLogP5.35
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.02
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-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

4-methyl-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 25108829
4-methylsulfanyl-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 59680148
4-cyano-N-[2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 59680302
4-[[6-(2-methyl-3-pyridinyl)imidazo[2,1-b][1,3]thiazol-3-yl]methyl]morpholine
CID 59680036
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 27147502
2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160160
3,4-dimethoxy-N-[6-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]cyclohepta-1,3,5-trien-1-yl]benzamide;ethane
CID 143409798
3-(chloromethyl)-6-(2-nitrophenyl)imidazo[2,1-b][1,3]thiazole;N-[2-[3-(imidazol-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoxaline-2-carboxamide
CID 159697692
6-(2-chlorophenyl)-N-methyl-N-(2-morpholin-4-ylethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 28955168
N-[2-[3-[(2-aminoethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 143408806
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 34277605
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide (CID 102265423) is 4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide is O=C(Nc1ccccc1-c1cn2c(CN3CCOCC3)csc2n1)c1cc(Cl)c2ccccc2n1.
What is the InChIKey of 4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide?
The InChIKey is ZMMYWSYKXJUYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O2S/c27-20-13-23(28-21-7-3-1-5-18(20)21)25(33)29-22-8-4-2-6-19(22)24-15-32-17(16-35-26(32)30-24)14-31-9-11-34-12-10-31/h1-8,13,15-16H,9-12,14H2,(H,29,33).
What are the key properties of 4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide?
4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide has a molecular weight of 504.02 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[3-(morpholin-4-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 102265423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).