2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

C23H19ClN4O3S — CID 50839626

IUPAC2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)c1)c1ccccc1Cl
InChIInChI=1S/C23H19ClN4O3S/c24-18-7-2-1-6-17(18)21(29)25-16-5-3-4-15(12-16)19-13-28-20(14-32-23(28)26-19)22(30)27-8-10-31-11-9-27/h1-7,12-14H,8-11H2,(H,25,29)
InChIKeyITDOZRAFXYSFFJ-UHFFFAOYSA-N
MW466.95 g/mol
LogP4.44
Rot. Bonds4

About 2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide

2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (PubChem CID 50839626) has the molecular formula C23H19ClN4O3S and a molecular weight of 466.95 g/mol. Its IUPAC name is 2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
PubChem CID50839626
Molecular FormulaC23H19ClN4O3S
Molecular Weight466.95 g/mol
Exact Mass466.09
IUPAC Name2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
SMILESO=C(Nc1cccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)c1)c1ccccc1Cl
InChIInChI=1S/C23H19ClN4O3S/c24-18-7-2-1-6-17(18)21(29)25-16-5-3-4-15(12-16)19-13-28-20(14-32-23(28)26-19)22(30)27-8-10-31-11-9-27/h1-7,12-14H,8-11H2,(H,25,29)
InChIKeyITDOZRAFXYSFFJ-UHFFFAOYSA-N
XLogP4.44
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 50839605
N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide
CID 50839394
2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
CID 46396461
N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
CID 50839474
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-1-carboxamide
CID 40691824
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
N-[3-[3-(4-methylpiperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzenesulfonamide
CID 50839588
N-(2-chlorophenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271470
2-cyclopentyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839435
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]benzamide
CID 43936475
2-chloro-N-[3-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 42658377
N-(3-methoxyphenyl)-6-phenylimidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 42271413

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide (CID 50839626) is 2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is O=C(Nc1cccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
The InChIKey is ITDOZRAFXYSFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3S/c24-18-7-2-1-6-17(18)21(29)25-16-5-3-4-15(12-16)19-13-28-20(14-32-23(28)26-19)22(30)27-8-10-31-11-9-27/h1-7,12-14H,8-11H2,(H,25,29).
What are the key properties of 2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide?
2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide has a molecular weight of 466.95 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide is sourced from PubChem (CID 50839626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).