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

C19H16FN5OS2 — CID 90547564

IUPACN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1c(CNC(=O)CSc2ncccn2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H16FN5OS2/c1-12-16(9-23-17(26)11-27-18-21-7-2-8-22-18)28-19-24-15(10-25(12)19)13-3-5-14(20)6-4-13/h2-8,10H,9,11H2,1H3,(H,23,26)
InChIKeyQFCVPQOMMQNFNI-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.71
Rot. Bonds6

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

N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 90547564) has the molecular formula C19H16FN5OS2 and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID90547564
Molecular FormulaC19H16FN5OS2
Molecular Weight413.50 g/mol
Exact Mass413.08
IUPAC NameN-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESCc1c(CNC(=O)CSc2ncccn2)sc2nc(-c3ccc(F)cc3)cn12
InChIInChI=1S/C19H16FN5OS2/c1-12-16(9-23-17(26)11-27-18-21-7-2-8-22-18)28-19-24-15(10-25(12)19)13-3-5-14(20)6-4-13/h2-8,10H,9,11H2,1H3,(H,23,26)
InChIKeyQFCVPQOMMQNFNI-UHFFFAOYSA-N
XLogP3.71
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.71
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-(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]-3,4,5-trimethoxybenzamide
CID 90547375
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-phenylbutanamide
CID 90547365
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 90547451
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
3,4-difluoro-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]benzamide
CID 90547443
1-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 90547614
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 91939242

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-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide (CID 90547564) is N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide is Cc1c(CNC(=O)CSc2ncccn2)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-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is QFCVPQOMMQNFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS2/c1-12-16(9-23-17(26)11-27-18-21-7-2-8-22-18)28-19-24-15(10-25(12)19)13-3-5-14(20)6-4-13/h2-8,10H,9,11H2,1H3,(H,23,26).
What are the key properties of N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 413.50 g/mol, XLogP of 3.71, 6 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-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 90547564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).