4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine

C17H17FN4O2S2 — CID 126773636

IUPAC4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1c(F)cccc1S(=O)(=O)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C17H17FN4O2S2/c1-12-13(18)3-2-4-15(12)26(23,24)22-8-6-21(7-9-22)17-16-14(5-10-25-16)19-11-20-17/h2-5,10-11H,6-9H2,1H3
InChIKeyQNZGHKOQPHTATJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.65
Rot. Bonds3

About 4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine

4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine (PubChem CID 126773636) has the molecular formula C17H17FN4O2S2 and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine
PubChem CID126773636
Molecular FormulaC17H17FN4O2S2
Molecular Weight392.48 g/mol
Exact Mass392.08
IUPAC Name4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine
SMILESCc1c(F)cccc1S(=O)(=O)N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C17H17FN4O2S2/c1-12-13(18)3-2-4-15(12)26(23,24)22-8-6-21(7-9-22)17-16-14(5-10-25-16)19-11-20-17/h2-5,10-11H,6-9H2,1H3
InChIKeyQNZGHKOQPHTATJ-UHFFFAOYSA-N
XLogP2.65
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine
CID 126792769
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 55470487
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407413
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline
CID 133345227
2-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propanenitrile
CID 60702030
4-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 133349538
4-[4-(3-ethoxy-2-pyridinyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 138008494
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
2-methyl-8-thieno[3,2-d]pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-1-one
CID 136536885
4-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 9108134
1-adamantyl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 51301531
4-[4-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 163357358

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine?
The IUPAC name of 4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine (CID 126773636) is 4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine is Cc1c(F)cccc1S(=O)(=O)N1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine?
The InChIKey is QNZGHKOQPHTATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2S2/c1-12-13(18)3-2-4-15(12)26(23,24)22-8-6-21(7-9-22)17-16-14(5-10-25-16)19-11-20-17/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine?
4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine has a molecular weight of 392.48 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 126773636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).