2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide

C21H20N6OS — CID 108800493

IUPAC2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CC2=CSC3=NCCN23)n(-c2cc(C)c3ccccc3n2)n1
InChIInChI=1S/C21H20N6OS/c1-13-9-18(23-17-6-4-3-5-16(13)17)27-19(10-14(2)25-27)24-20(28)11-15-12-29-21-22-7-8-26(15)21/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,24,28)
InChIKeyXQOHCCKSUSSJTA-UHFFFAOYSA-N
MW404.50 g/mol
LogP3.63
Rot. Bonds4

About 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide

2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide (PubChem CID 108800493) has the molecular formula C21H20N6OS and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide
PubChem CID108800493
Molecular FormulaC21H20N6OS
Molecular Weight404.50 g/mol
Exact Mass404.14
IUPAC Name2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CC2=CSC3=NCCN23)n(-c2cc(C)c3ccccc3n2)n1
InChIInChI=1S/C21H20N6OS/c1-13-9-18(23-17-6-4-3-5-16(13)17)27-19(10-14(2)25-27)24-20(28)11-15-12-29-21-22-7-8-26(15)21/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,24,28)
InChIKeyXQOHCCKSUSSJTA-UHFFFAOYSA-N
XLogP3.63
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,1-diethyl-3-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]urea
CID 108747189
4-(4-methoxyphenyl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-oxobutanamide
CID 108747214
2,4-dichloro-N-[2-[[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]amino]-2-oxoethyl]benzamide
CID 108769282
5-methyl-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]furan-2-carboxamide
CID 108747229
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 108787696
N-(2-chloro-3-pyridinyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787577
4-methyl-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-3H-pyrido[1,2-a]pyrimidine-4-carboxamide
CID 108800928
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108810114
N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797709
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108810128
N-(4-cyanophenyl)-2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 108787570
4-methoxy-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]benzenesulfonamide
CID 108783992

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide (CID 108800493) is 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide is Cc1cc(NC(=O)CC2=CSC3=NCCN23)n(-c2cc(C)c3ccccc3n2)n1.
What is the InChIKey of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is XQOHCCKSUSSJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6OS/c1-13-9-18(23-17-6-4-3-5-16(13)17)27-19(10-14(2)25-27)24-20(28)11-15-12-29-21-22-7-8-26(15)21/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,24,28).
What are the key properties of 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide?
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 404.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[5-methyl-2-(4-methylquinolin-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 108800493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).