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

C20H22N4O3S — CID 46396461

IUPAC2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)cc1
InChIInChI=1S/C20H22N4O3S/c1-13(2)18(25)21-15-5-3-14(4-6-15)16-11-24-17(12-28-20(24)22-16)19(26)23-7-9-27-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)
InChIKeyAUULCLQTLUMIRV-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.13
Rot. Bonds4

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

2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide (PubChem CID 46396461) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
PubChem CID46396461
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)cc1
InChIInChI=1S/C20H22N4O3S/c1-13(2)18(25)21-15-5-3-14(4-6-15)16-11-24-17(12-28-20(24)22-16)19(26)23-7-9-27-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,25)
InChIKeyAUULCLQTLUMIRV-UHFFFAOYSA-N
XLogP3.13
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
CID 50839474
N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide
CID 50839394
(2E,4Z)-2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]hexa-2,4-dienamide
CID 155022803
2-cyclopentyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839435
N-[4-[3-(piperidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]acetamide
CID 50839374
[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-pyrrolidin-1-ylmethanone
CID 42271654
2-chloro-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 50839626
2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 121038811
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42270017
2-ethyl-N-[4-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide
CID 18562197
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 50839605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide (CID 46396461) is 2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)cc1.
What is the InChIKey of 2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide?
The InChIKey is AUULCLQTLUMIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-13(2)18(25)21-15-5-3-14(4-6-15)16-11-24-17(12-28-20(24)22-16)19(26)23-7-9-27-10-8-23/h3-6,11-13H,7-10H2,1-2H3,(H,21,25).
What are the key properties of 2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide?
2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide has a molecular weight of 398.49 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide is sourced from PubChem (CID 46396461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).