(2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide

C19H17N5O2S — CID 129410500

IUPAC(2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1ccc(=O)n([C@H](C)C(=O)Nc2ccccc2-c2cn3ccsc3n2)n1
InChIInChI=1S/C19H17N5O2S/c1-12-7-8-17(25)24(22-12)13(2)18(26)20-15-6-4-3-5-14(15)16-11-23-9-10-27-19(23)21-16/h3-11,13H,1-2H3,(H,20,26)/t13-/m1/s1
InChIKeyNTQZRYDZNXIBLT-CYBMUJFWSA-N
MW379.45 g/mol
LogP3.13
Rot. Bonds4

About (2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide

(2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide (PubChem CID 129410500) has the molecular formula C19H17N5O2S and a molecular weight of 379.45 g/mol. Its IUPAC name is (2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide
PubChem CID129410500
Molecular FormulaC19H17N5O2S
Molecular Weight379.45 g/mol
Exact Mass379.11
IUPAC Name(2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1ccc(=O)n([C@H](C)C(=O)Nc2ccccc2-c2cn3ccsc3n2)n1
InChIInChI=1S/C19H17N5O2S/c1-12-7-8-17(25)24(22-12)13(2)18(26)20-15-6-4-3-5-14(15)16-11-23-9-10-27-19(23)21-16/h3-11,13H,1-2H3,(H,20,26)/t13-/m1/s1
InChIKeyNTQZRYDZNXIBLT-CYBMUJFWSA-N
XLogP3.13
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propane-2-sulfonamide
CID 90626781
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-naphthalen-1-yloxypropanamide
CID 90625958
(E)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)but-2-enamide
CID 90625813
N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)propanamide
CID 121149372
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 90625793
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)propanamide
CID 92627252
2-fluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 90625740
1-(2,5-dichlorophenyl)-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)urea
CID 90626818
2-(4-bromophenyl)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 90625768
6-(2-methylphenyl)imidazo[2,1-b][1,3]thiazole
CID 115403259
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 90626025
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-9H-xanthene-9-carboxamide
CID 90625760

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of (2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide (CID 129410500) is (2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide is Cc1ccc(=O)n([C@H](C)C(=O)Nc2ccccc2-c2cn3ccsc3n2)n1.
What is the InChIKey of (2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is NTQZRYDZNXIBLT-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N5O2S/c1-12-7-8-17(25)24(22-12)13(2)18(26)20-15-6-4-3-5-14(15)16-11-23-9-10-27-19(23)21-16/h3-11,13H,1-2H3,(H,20,26)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide?
(2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 379.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(3-methyl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 129410500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).