(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one

C24H22N4O3S2 — CID 167420912

IUPAC(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one
SMILESC[C@H](Sc1ncnc2cc(-c3ccccc3)sc12)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H22N4O3S2/c1-16(23(29)27-9-11-28(12-10-27)24(30)19-8-5-13-31-19)32-22-21-18(25-15-26-22)14-20(33-21)17-6-3-2-4-7-17/h2-8,13-16H,9-12H2,1H3/t16-/m0/s1
InChIKeyJMELTWOIWUYMHI-INIZCTEOSA-N
MW478.60 g/mol
LogP4.42
Rot. Bonds5

About (2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one

(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one (PubChem CID 167420912) has the molecular formula C24H22N4O3S2 and a molecular weight of 478.60 g/mol. Its IUPAC name is (2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one
PubChem CID167420912
Molecular FormulaC24H22N4O3S2
Molecular Weight478.60 g/mol
Exact Mass478.11
IUPAC Name(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one
SMILESC[C@H](Sc1ncnc2cc(-c3ccccc3)sc12)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C24H22N4O3S2/c1-16(23(29)27-9-11-28(12-10-27)24(30)19-8-5-13-31-19)32-22-21-18(25-15-26-22)14-20(33-21)17-6-3-2-4-7-17/h2-8,13-16H,9-12H2,1H3/t16-/m0/s1
InChIKeyJMELTWOIWUYMHI-INIZCTEOSA-N
XLogP4.42
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(azepan-1-yl)-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 46620621
1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 51280487
(2R)-2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 40810099
(2R)-2-[[5-(2-ethoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 2475883
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one
CID 78791450
2-butylsulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 78761813
3-amino-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119673047
(2R)-1-morpholin-4-yl-2-(6-phenylpyrimidin-4-yl)sulfanylpropan-1-one
CID 42345635
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinoxalin-2-yl]sulfanylethanone
CID 23966626
6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 4113165
(2S)-2-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7888355

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one?
The IUPAC name of (2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one (CID 167420912) is (2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one.
What is the SMILES notation for (2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one?
The canonical SMILES for (2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one is C[C@H](Sc1ncnc2cc(-c3ccccc3)sc12)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of (2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one?
The InChIKey is JMELTWOIWUYMHI-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22N4O3S2/c1-16(23(29)27-9-11-28(12-10-27)24(30)19-8-5-13-31-19)32-22-21-18(25-15-26-22)14-20(33-21)17-6-3-2-4-7-17/h2-8,13-16H,9-12H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one?
(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one has a molecular weight of 478.60 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one is sourced from PubChem (CID 167420912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).