3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide

C20H16FN3OS2 — CID 40723401

IUPAC3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C20H16FN3OS2/c21-15-3-7-17(8-4-15)26-11-9-19(25)22-16-5-1-14(2-6-16)18-13-24-10-12-27-20(24)23-18/h1-8,10,12-13H,9,11H2,(H,22,25)
InChIKeyIQHXBRJWAFFFQP-UHFFFAOYSA-N
MW397.50 g/mol
LogP5.32
Rot. Bonds6

About 3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide

3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide (PubChem CID 40723401) has the molecular formula C20H16FN3OS2 and a molecular weight of 397.50 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
PubChem CID40723401
Molecular FormulaC20H16FN3OS2
Molecular Weight397.50 g/mol
Exact Mass397.07
IUPAC Name3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
SMILESO=C(CCSc1ccc(F)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C20H16FN3OS2/c21-15-3-7-17(8-4-15)26-11-9-19(25)22-16-5-1-14(2-6-16)18-13-24-10-12-27-20(24)23-18/h1-8,10,12-13H,9,11H2,(H,22,25)
InChIKeyIQHXBRJWAFFFQP-UHFFFAOYSA-N
XLogP5.32
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
3-(4-cyanophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 37039350
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 17466488
(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
CID 25346335
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 35607833
3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 3395067
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide;hydrochloride
CID 119677635
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
CID 46573518
(2R)-1-(4-fluorophenyl)sulfonyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)pyrrolidine-2-carboxamide
CID 41042075
2-(2,6-dichlorophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 4674024

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide (CID 40723401) is 3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide is O=C(CCSc1ccc(F)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
The InChIKey is IQHXBRJWAFFFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS2/c21-15-3-7-17(8-4-15)26-11-9-19(25)22-16-5-1-14(2-6-16)18-13-24-10-12-27-20(24)23-18/h1-8,10,12-13H,9,11H2,(H,22,25).
What are the key properties of 3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide?
3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide has a molecular weight of 397.50 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfanyl-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide is sourced from PubChem (CID 40723401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).