2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide

C17H20N4O2S — CID 136747760

IUPAC2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)C[C@@H]1Nc2c3ccccc3nc(=S)n2C1=O
InChIInChI=1S/C17H20N4O2S/c1-2-3-6-9-18-14(22)10-13-16(23)21-15(19-13)11-7-4-5-8-12(11)20-17(21)24/h4-5,7-8,13,19H,2-3,6,9-10H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyAFRZAFCUXFWLCG-ZDUSSCGKSA-N
MW344.44 g/mol
LogP2.90
Rot. Bonds6

About 2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide

2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide (PubChem CID 136747760) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide.

Molecular Properties

Compound Name2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide
PubChem CID136747760
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide
SMILESCCCCCNC(=O)C[C@@H]1Nc2c3ccccc3nc(=S)n2C1=O
InChIInChI=1S/C17H20N4O2S/c1-2-3-6-9-18-14(22)10-13-16(23)21-15(19-13)11-7-4-5-8-12(11)20-17(21)24/h4-5,7-8,13,19H,2-3,6,9-10H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyAFRZAFCUXFWLCG-ZDUSSCGKSA-N
XLogP2.90
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylpropanamide
CID 136728794
N-[(2S)-2-ethylhexyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
CID 136769118
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
CID 136697048
N-[2-(cyclohexen-1-yl)ethyl]-2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]acetamide
CID 136919096
3-(3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 5054281
(2R)-2-benzyl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 137238991
N-[(4-chlorophenyl)methyl]-3-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]propanamide
CID 136668514
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-3-[(2R)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]propanamide
CID 136769039
(2R)-2-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 136769128
(2R)-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 136769059
(2S)-2-[(2S)-butan-2-yl]-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 137216961
2-butan-2-yl-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-3-one
CID 5156290

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide?
The IUPAC name of 2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide (CID 136747760) is 2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide.
What is the SMILES notation for 2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide?
The canonical SMILES for 2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide is CCCCCNC(=O)C[C@@H]1Nc2c3ccccc3nc(=S)n2C1=O.
What is the InChIKey of 2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide?
The InChIKey is AFRZAFCUXFWLCG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-2-3-6-9-18-14(22)10-13-16(23)21-15(19-13)11-7-4-5-8-12(11)20-17(21)24/h4-5,7-8,13,19H,2-3,6,9-10H2,1H3,(H,18,22)/t13-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide?
2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide has a molecular weight of 344.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-5-sulfanylidene-1,2-dihydroimidazo[1,2-c]quinazolin-2-yl]-N-pentylacetamide is sourced from PubChem (CID 136747760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).