2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide

C24H19FN4O2S2 — CID 5074543

IUPAC2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1N=C2c3ccccc3N=C(SCc3cccc(F)c3)N2C1=O)NCc1cccs1
InChIInChI=1S/C24H19FN4O2S2/c25-16-6-3-5-15(11-16)14-33-24-28-19-9-2-1-8-18(19)22-27-20(23(31)29(22)24)12-21(30)26-13-17-7-4-10-32-17/h1-11,20H,12-14H2,(H,26,30)
InChIKeyXAOKRTCFXABJQF-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.49
Rot. Bonds6

About 2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 5074543) has the molecular formula C24H19FN4O2S2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID5074543
Molecular FormulaC24H19FN4O2S2
Molecular Weight478.57 g/mol
Exact Mass478.09
IUPAC Name2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CC1N=C2c3ccccc3N=C(SCc3cccc(F)c3)N2C1=O)NCc1cccs1
InChIInChI=1S/C24H19FN4O2S2/c25-16-6-3-5-15(11-16)14-33-24-28-19-9-2-1-8-18(19)22-27-20(23(31)29(22)24)12-21(30)26-13-17-7-4-10-32-17/h1-11,20H,12-14H2,(H,26,30)
InChIKeyXAOKRTCFXABJQF-UHFFFAOYSA-N
XLogP4.49
TPSA74.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(phenylmethyl)acetamide
CID 3235767
2-({2-[2-(butylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(2-methylphenyl)acetamide
CID 3237817
2-{5-[(2-amino-2-oxoethyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}-N-(thien-2-ylmethyl)acetamide
CID 3243789
ethyl 2-{[3-oxo-2-({[(thiophen-2-yl)methyl]carbamoyl}methyl)-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}acetate
CID 3245769
2-(5-{[(4-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 3326084
2-(5-{[(2-chlorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 3326089
2-(5-{[(2,4-dimethylphenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 3432957
2-(5-{[(4-methylphenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 3432958
3-(5-{[(4-methylphenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]propanamide
CID 3441668
2-(5-{[(2-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(thiophen-2-yl)methyl]acetamide
CID 5074546
N-cyclohexyl-2-[5-[(4-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]acetamide
CID 5086815
2-(5-((4-fluorobenzyl)thio)-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-phenethylacetamide
CID 5162264

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 5074543) is 2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CC1N=C2c3ccccc3N=C(SCc3cccc(F)c3)N2C1=O)NCc1cccs1.
What is the InChIKey of 2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is XAOKRTCFXABJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2S2/c25-16-6-3-5-15(11-16)14-33-24-28-19-9-2-1-8-18(19)22-27-20(23(31)29(22)24)12-21(30)26-13-17-7-4-10-32-17/h1-11,20H,12-14H2,(H,26,30).
What are the key properties of 2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 478.57 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 5074543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).