N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide

C19H16FN5O2S — CID 90547533

IUPACN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCc1c(CNC(=O)Cn2cnccc2=O)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H16FN5O2S/c1-12-16(8-22-17(26)10-24-11-21-7-6-18(24)27)28-19-23-15(9-25(12)19)13-2-4-14(20)5-3-13/h2-7,9,11H,8,10H2,1H3,(H,22,26)
InChIKeyXGHHISWHKRMTNY-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.38
Rot. Bonds5

About N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide

N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide (PubChem CID 90547533) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide
PubChem CID90547533
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide
SMILESCc1c(CNC(=O)Cn2cnccc2=O)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H16FN5O2S/c1-12-16(8-22-17(26)10-24-11-21-7-6-18(24)27)28-19-23-15(9-25(12)19)13-2-4-14(20)5-3-13/h2-7,9,11H,8,10H2,1H3,(H,22,26)
InChIKeyXGHHISWHKRMTNY-UHFFFAOYSA-N
XLogP2.38
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-pyrimidin-2-ylsulfanylacetamide
CID 90547564
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(2-nitrophenyl)acetamide
CID 90547555
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-(7-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 90547566
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 90547400
3,4-difluoro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzamide
CID 90547443
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
1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylurea
CID 71795881
1-(2-ethylphenyl)-3-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]urea
CID 90547611
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-phenylbutanamide
CID 90547365

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-(6-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide (CID 90547533) is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide is Cc1c(CNC(=O)Cn2cnccc2=O)sc2nc(-c3ccc(F)cc3)cn12.
What is the InChIKey of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide?
The InChIKey is XGHHISWHKRMTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c1-12-16(8-22-17(26)10-24-11-21-7-6-18(24)27)28-19-23-15(9-25(12)19)13-2-4-14(20)5-3-13/h2-7,9,11H,8,10H2,1H3,(H,22,26).
What are the key properties of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide?
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-(6-oxopyrimidin-1-yl)acetamide has a molecular weight of 397.44 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-(6-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 90547533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).