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

C23H19N5OS — CID 40722991

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C23H19N5OS/c29-22(11-6-17-14-24-28(15-17)20-4-2-1-3-5-20)25-19-9-7-18(8-10-19)21-16-27-12-13-30-23(27)26-21/h1-5,7-10,12-16H,6,11H2,(H,25,29)
InChIKeyRCZPKLHWLJYOAU-UHFFFAOYSA-N
MW413.51 g/mol
LogP4.82
Rot. Bonds6

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

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 40722991) has the molecular formula C23H19N5OS and a molecular weight of 413.51 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID40722991
Molecular FormulaC23H19N5OS
Molecular Weight413.51 g/mol
Exact Mass413.13
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
SMILESO=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C23H19N5OS/c29-22(11-6-17-14-24-28(15-17)20-4-2-1-3-5-20)25-19-9-7-18(8-10-19)21-16-27-12-13-30-23(27)26-21/h1-5,7-10,12-16H,6,11H2,(H,25,29)
InChIKeyRCZPKLHWLJYOAU-UHFFFAOYSA-N
XLogP4.82
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(E)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46635889
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)butanamide
CID 852131
3-(1,3-benzothiazol-2-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 3395067
3-(4-cyanophenyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 37039350
(3R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-phenylbutanamide
CID 25346335
N-(1,2-benzothiazol-5-yl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 75510980
N-(3,5-dimethoxyphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26465987
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 16593057
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-thiophen-3-ylacetamide
CID 37039093
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 35607833
N-[3-(4-imidazo[2,1-b][1,3]thiazol-6-ylanilino)-3-oxopropyl]naphthalene-2-carboxamide
CID 46573518
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 N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide (CID 40722991) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide is O=C(CCc1cnn(-c2ccccc2)c1)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is RCZPKLHWLJYOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5OS/c29-22(11-6-17-14-24-28(15-17)20-4-2-1-3-5-20)25-19-9-7-18(8-10-19)21-16-27-12-13-30-23(27)26-21/h1-5,7-10,12-16H,6,11H2,(H,25,29).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 413.51 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 40722991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).