2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide

C17H20F2N4O2S — CID 162117898

IUPAC2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CC1CCCN(c2ncnc3cc(F)c(F)cc23)C1
InChIInChI=1S/C17H20F2N4O2S/c18-14-7-13-16(8-15(14)19)20-11-21-17(13)22-4-1-3-12(9-22)10-23-5-2-6-26(23,24)25/h7-8,11-12H,1-6,9-10H2
InChIKeyLJFZSGFSWYJINX-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.16
Rot. Bonds3

About 2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide

2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 162117898) has the molecular formula C17H20F2N4O2S and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID162117898
Molecular FormulaC17H20F2N4O2S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC Name2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide
SMILESO=S1(=O)CCCN1CC1CCCN(c2ncnc3cc(F)c(F)cc23)C1
InChIInChI=1S/C17H20F2N4O2S/c18-14-7-13-16(8-15(14)19)20-11-21-17(13)22-4-1-3-12(9-22)10-23-5-2-6-26(23,24)25/h7-8,11-12H,1-6,9-10H2
InChIKeyLJFZSGFSWYJINX-UHFFFAOYSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide (CID 162117898) is 2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide is O=S1(=O)CCCN1CC1CCCN(c2ncnc3cc(F)c(F)cc23)C1.
What is the InChIKey of 2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is LJFZSGFSWYJINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2S/c18-14-7-13-16(8-15(14)19)20-11-21-17(13)22-4-1-3-12(9-22)10-23-5-2-6-26(23,24)25/h7-8,11-12H,1-6,9-10H2.
What are the key properties of 2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide?
2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 382.44 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]methyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 162117898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).