N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide

C22H19N5O2S — CID 121031186

IUPACN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1cccc(-c2cn3c(n2)SCC3)c1
InChIInChI=1S/C22H19N5O2S/c28-20(8-9-27-14-23-18-7-2-1-6-17(18)21(27)29)24-16-5-3-4-15(12-16)19-13-26-10-11-30-22(26)25-19/h1-7,12-14H,8-11H2,(H,24,28)
InChIKeyCSJNRHKNHHEERG-UHFFFAOYSA-N
MW417.49 g/mol
LogP3.39
Rot. Bonds5

About N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 121031186) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID121031186
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC NameN-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)Nc1cccc(-c2cn3c(n2)SCC3)c1
InChIInChI=1S/C22H19N5O2S/c28-20(8-9-27-14-23-18-7-2-1-6-17(18)21(27)29)24-16-5-3-4-15(12-16)19-13-26-10-11-30-22(26)25-19/h1-7,12-14H,8-11H2,(H,24,28)
InChIKeyCSJNRHKNHHEERG-UHFFFAOYSA-N
XLogP3.39
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-phenylacetamide
CID 40506211
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(2,4-dioxo-1,3-diazinan-1-yl)propanamide
CID 75271275
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 121031113
N-(1-methylpyrazol-4-yl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 32606845
N-(3-methylsulfonylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 33158076
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 121031083
3-[3-(4-oxoquinazolin-3-yl)propanoylamino]-N-propylbenzamide
CID 55705897
N-(4-bromo-3-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 2974265
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200
N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 51949326
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 121031186) is N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide is O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(-c2cn3c(n2)SCC3)c1.
What is the InChIKey of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is CSJNRHKNHHEERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c28-20(8-9-27-14-23-18-7-2-1-6-17(18)21(27)29)24-16-5-3-4-15(12-16)19-13-26-10-11-30-22(26)25-19/h1-7,12-14H,8-11H2,(H,24,28).
What are the key properties of N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 417.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 121031186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).