4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine

C21H25N5OS — CID 53467983

IUPAC4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESc1csc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1
InChIInChI=1S/C21H25N5OS/c1-2-16(12-20-22-5-11-28-20)14-26(6-1)21-18-4-3-17(13-19(18)23-15-24-21)25-7-9-27-10-8-25/h3-5,11,13,15-16H,1-2,6-10,12,14H2
InChIKeyXCEVSMDYASJOMM-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.38
Rot. Bonds4

About 4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine

4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 53467983) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is 4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID53467983
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC Name4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESc1csc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1
InChIInChI=1S/C21H25N5OS/c1-2-16(12-20-22-5-11-28-20)14-26(6-1)21-18-4-3-17(13-19(18)23-15-24-21)25-7-9-27-10-8-25/h3-5,11,13,15-16H,1-2,6-10,12,14H2
InChIKeyXCEVSMDYASJOMM-UHFFFAOYSA-N
XLogP3.38
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (CID 53467983) is 4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is c1csc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1.
What is the InChIKey of 4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is XCEVSMDYASJOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-2-16(12-20-22-5-11-28-20)14-26(6-1)21-18-4-3-17(13-19(18)23-15-24-21)25-7-9-27-10-8-25/h3-5,11,13,15-16H,1-2,6-10,12,14H2.
What are the key properties of 4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 395.53 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 53467983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).