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

C20H20N4O3S — CID 50839394

IUPACN-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)cc1)C1CC1
InChIInChI=1S/C20H20N4O3S/c25-18(14-1-2-14)21-15-5-3-13(4-6-15)16-11-24-17(12-28-20(24)22-16)19(26)23-7-9-27-10-8-23/h3-6,11-12,14H,1-2,7-10H2,(H,21,25)
InChIKeyLITXJVQJJIXPHZ-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.88
Rot. Bonds4

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

N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide (PubChem CID 50839394) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide
PubChem CID50839394
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)cc1)C1CC1
InChIInChI=1S/C20H20N4O3S/c25-18(14-1-2-14)21-15-5-3-13(4-6-15)16-11-24-17(12-28-20(24)22-16)19(26)23-7-9-27-10-8-23/h3-6,11-12,14H,1-2,7-10H2,(H,21,25)
InChIKeyLITXJVQJJIXPHZ-UHFFFAOYSA-N
XLogP2.88
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.88
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
2-methyl-N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]propanamide
CID 46396461
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
(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
[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
1-(6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperidine-4-carboxamide
CID 42270233
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42270017
2-ethoxy-N-[3-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 50839605
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclopropanecarboxamide
CID 18562185

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide (CID 50839394) is N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(-c2cn3c(C(=O)N4CCOCC4)csc3n2)cc1)C1CC1.
What is the InChIKey of N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is LITXJVQJJIXPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-18(14-1-2-14)21-15-5-3-13(4-6-15)16-11-24-17(12-28-20(24)22-16)19(26)23-7-9-27-10-8-23/h3-6,11-12,14H,1-2,7-10H2,(H,21,25).
What are the key properties of N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide?
N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(morpholine-4-carbonyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 50839394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).