N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

C22H20FN5O2S2 — CID 90547566

IUPACN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C22H20FN5O2S2/c1-12-7-20(30)28-16(11-31-22(28)25-12)8-19(29)24-9-18-13(2)27-10-17(26-21(27)32-18)14-3-5-15(23)6-4-14/h3-7,10,16H,8-9,11H2,1-2H3,(H,24,29)
InChIKeyWQDVVUVIKGOOAA-UHFFFAOYSA-N
MW469.57 g/mol
LogP3.73
Rot. Bonds5

About N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide

N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (PubChem CID 90547566) has the molecular formula C22H20FN5O2S2 and a molecular weight of 469.57 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
PubChem CID90547566
Molecular FormulaC22H20FN5O2S2
Molecular Weight469.57 g/mol
Exact Mass469.10
IUPAC NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
SMILESCc1cc(=O)n2c(n1)SCC2CC(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C
InChIInChI=1S/C22H20FN5O2S2/c1-12-7-20(30)28-16(11-31-22(28)25-12)8-19(29)24-9-18-13(2)27-10-17(26-21(27)32-18)14-3-5-15(23)6-4-14/h3-7,10,16H,8-9,11H2,1-2H3,(H,24,29)
InChIKeyWQDVVUVIKGOOAA-UHFFFAOYSA-N
XLogP3.73
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]acetamide
CID 90546542
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 90547458
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 90547533
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 90547564
3,4-difluoro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzamide
CID 90547443
(2S)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 97042286
2-(4-chlorophenoxy)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]acetamide
CID 90547335
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 90547451
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 90547375
2-[(3R)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(2-phenylethyl)acetamide
CID 42478215
2-[(3S)-7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]-N-(4-methylphenyl)acetamide
CID 51530431
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 90547400

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide (CID 90547566) is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is Cc1cc(=O)n2c(n1)SCC2CC(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C.
What is the InChIKey of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
The InChIKey is WQDVVUVIKGOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2S2/c1-12-7-20(30)28-16(11-31-22(28)25-12)8-19(29)24-9-18-13(2)27-10-17(26-21(27)32-18)14-3-5-15(23)6-4-14/h3-7,10,16H,8-9,11H2,1-2H3,(H,24,29).
What are the key properties of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide?
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide has a molecular weight of 469.57 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 90547566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).