N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide

C22H17FN4OS — CID 46820436

IUPACN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C22H17FN4OS/c23-16-8-5-14(6-9-16)20-21(27-11-12-29-22(27)26-20)25-19(28)10-7-15-13-24-18-4-2-1-3-17(15)18/h1-6,8-9,11-13,24H,7,10H2,(H,25,28)
InChIKeyAACLUAUQCIARPV-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.25
Rot. Bonds5

About N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 46820436) has the molecular formula C22H17FN4OS and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID46820436
Molecular FormulaC22H17FN4OS
Molecular Weight404.47 g/mol
Exact Mass404.11
IUPAC NameN-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)Nc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C22H17FN4OS/c23-16-8-5-14(6-9-16)20-21(27-11-12-29-22(27)26-20)25-19(28)10-7-15-13-24-18-4-2-1-3-17(15)18/h1-6,8-9,11-13,24H,7,10H2,(H,25,28)
InChIKeyAACLUAUQCIARPV-UHFFFAOYSA-N
XLogP5.25
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 47008613
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylpropanamide
CID 17415628
2-(benzotriazol-1-yl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 51199258
2-(3-fluorophenyl)-N-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)acetamide
CID 25390779
N-(3,5-difluorophenyl)-3-(1H-indol-3-yl)propanamide
CID 27906978
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-methylbutanamide
CID 46511311
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(1H-indol-3-yl)propanamide
CID 17494432
3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(1H-indol-3-yl)prop-2-en-1-one
CID 70896456
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 51603172
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 16551690
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27897247
2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetamide
CID 43069168

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide (CID 46820436) is N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)Nc1c(-c2ccc(F)cc2)nc2sccn12.
What is the InChIKey of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is AACLUAUQCIARPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4OS/c23-16-8-5-14(6-9-16)20-21(27-11-12-29-22(27)26-20)25-19(28)10-7-15-13-24-18-4-2-1-3-17(15)18/h1-6,8-9,11-13,24H,7,10H2,(H,25,28).
What are the key properties of N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide?
N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 404.47 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 46820436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).