4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine

C15H19F2N5OS — CID 167787434

IUPAC4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine
SMILESFC(F)C1CCCN(c2ncnc3nc(N4CCOCC4)sc23)C1
InChIInChI=1S/C15H19F2N5OS/c16-12(17)10-2-1-3-22(8-10)14-11-13(18-9-19-14)20-15(24-11)21-4-6-23-7-5-21/h9-10,12H,1-8H2
InChIKeyBTPSZRFCVQPKIW-UHFFFAOYSA-N
MW355.41 g/mol
LogP2.40
Rot. Bonds3

About 4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine

4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine (PubChem CID 167787434) has the molecular formula C15H19F2N5OS and a molecular weight of 355.41 g/mol. Its IUPAC name is 4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine
PubChem CID167787434
Molecular FormulaC15H19F2N5OS
Molecular Weight355.41 g/mol
Exact Mass355.13
IUPAC Name4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine
SMILESFC(F)C1CCCN(c2ncnc3nc(N4CCOCC4)sc23)C1
InChIInChI=1S/C15H19F2N5OS/c16-12(17)10-2-1-3-22(8-10)14-11-13(18-9-19-14)20-15(24-11)21-4-6-23-7-5-21/h9-10,12H,1-8H2
InChIKeyBTPSZRFCVQPKIW-UHFFFAOYSA-N
XLogP2.40
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine (CID 167787434) is 4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine is FC(F)C1CCCN(c2ncnc3nc(N4CCOCC4)sc23)C1.
What is the InChIKey of 4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine?
The InChIKey is BTPSZRFCVQPKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5OS/c16-12(17)10-2-1-3-22(8-10)14-11-13(18-9-19-14)20-15(24-11)21-4-6-23-7-5-21/h9-10,12H,1-8H2.
What are the key properties of 4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine?
4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine has a molecular weight of 355.41 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-(difluoromethyl)piperidin-1-yl]-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 167787434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).