1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one

C19H20N4OS2 — CID 51280487

IUPAC1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
SMILESCC(Sc1ncnc2ccsc12)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20N4OS2/c1-14(26-18-17-16(7-12-25-17)20-13-21-18)19(24)23-10-8-22(9-11-23)15-5-3-2-4-6-15/h2-7,12-14H,8-11H2,1H3
InChIKeyWONSRIDXDPSTNS-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.52
Rot. Bonds4

About 1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one

1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one (PubChem CID 51280487) has the molecular formula C19H20N4OS2 and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
PubChem CID51280487
Molecular FormulaC19H20N4OS2
Molecular Weight384.53 g/mol
Exact Mass384.11
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
SMILESCC(Sc1ncnc2ccsc12)C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H20N4OS2/c1-14(26-18-17-16(7-12-25-17)20-13-21-18)19(24)23-10-8-22(9-11-23)15-5-3-2-4-6-15/h2-7,12-14H,8-11H2,1H3
InChIKeyWONSRIDXDPSTNS-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 18123827
(2R)-N-(phenylcarbamoyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 41045217
N-(2-phenylpropyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 51280457
N-cycloheptyl-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 18123984
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51235450
2-(2-cyclopropylquinazolin-4-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 24579367
1-(4-bromophenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one
CID 18123818
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231
(2R)-2-[(2-chloro-7H-purin-6-yl)sulfanyl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 40900749
(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(6-phenylthieno[3,2-d]pyrimidin-4-yl)sulfanylpropan-1-one
CID 167420912
N-(2-ethoxyphenyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropanamide
CID 51280481
(2S)-1-(4-phenylpiperazin-1-yl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)propan-1-one
CID 41354285

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one (CID 51280487) is 1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one is CC(Sc1ncnc2ccsc12)C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one?
The InChIKey is WONSRIDXDPSTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS2/c1-14(26-18-17-16(7-12-25-17)20-13-21-18)19(24)23-10-8-22(9-11-23)15-5-3-2-4-6-15/h2-7,12-14H,8-11H2,1H3.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one?
1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one has a molecular weight of 384.53 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one is sourced from PubChem (CID 51280487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).