2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

C19H18N4O2S2 — CID 8520648

IUPAC2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1ncnc2ccccc12)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H18N4O2S2/c24-17(12-27-18-14-4-1-2-5-15(14)20-13-21-18)22-7-9-23(10-8-22)19(25)16-6-3-11-26-16/h1-6,11,13H,7-10,12H2
InChIKeyGLOIGLJBILPNMG-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.77
Rot. Bonds4

About 2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 8520648) has the molecular formula C19H18N4O2S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID8520648
Molecular FormulaC19H18N4O2S2
Molecular Weight398.51 g/mol
Exact Mass398.09
IUPAC Name2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CSc1ncnc2ccccc12)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C19H18N4O2S2/c24-17(12-27-18-14-4-1-2-5-15(14)20-13-21-18)22-7-9-23(10-8-22)19(25)16-6-3-11-26-16/h1-6,11,13H,7-10,12H2
InChIKeyGLOIGLJBILPNMG-UHFFFAOYSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylethanone
CID 2378987
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 17423624
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2652588
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone
CID 9325672
1-[(3R)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-quinazolin-4-ylsulfanylethanone
CID 41060629
1-phenyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butane-1,4-dione
CID 9022754
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
2-[[5-methyl-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 30010182
2-phenoxy-1-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798120
1-[(2R)-2-ethylpiperidin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 2403913

Frequently Asked Questions

What is the IUPAC name of 2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone (CID 8520648) is 2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is O=C(CSc1ncnc2ccccc12)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is GLOIGLJBILPNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S2/c24-17(12-27-18-14-4-1-2-5-15(14)20-13-21-18)22-7-9-23(10-8-22)19(25)16-6-3-11-26-16/h1-6,11,13H,7-10,12H2.
What are the key properties of 2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone?
2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 398.51 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinazolin-4-ylsulfanyl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 8520648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).