4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine

C22H27N5OS — CID 53468207

IUPAC4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCc1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1
InChIInChI=1S/C22H27N5OS/c1-16-13-23-21(29-16)11-17-3-2-6-27(14-17)22-19-5-4-18(12-20(19)24-15-25-22)26-7-9-28-10-8-26/h4-5,12-13,15,17H,2-3,6-11,14H2,1H3
InChIKeyNAXNIDHYOPWZOF-UHFFFAOYSA-N
MW409.56 g/mol
LogP3.69
Rot. Bonds4

About 4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine

4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 53468207) has the molecular formula C22H27N5OS and a molecular weight of 409.56 g/mol. Its IUPAC name is 4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID53468207
Molecular FormulaC22H27N5OS
Molecular Weight409.56 g/mol
Exact Mass409.19
IUPAC Name4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCc1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1
InChIInChI=1S/C22H27N5OS/c1-16-13-23-21(29-16)11-17-3-2-6-27(14-17)22-19-5-4-18(12-20(19)24-15-25-22)26-7-9-28-10-8-26/h4-5,12-13,15,17H,2-3,6-11,14H2,1H3
InChIKeyNAXNIDHYOPWZOF-UHFFFAOYSA-N
XLogP3.69
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine (CID 53468207) is 4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine is Cc1cnc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1.
What is the InChIKey of 4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is NAXNIDHYOPWZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS/c1-16-13-23-21(29-16)11-17-3-2-6-27(14-17)22-19-5-4-18(12-20(19)24-15-25-22)26-7-9-28-10-8-26/h4-5,12-13,15,17H,2-3,6-11,14H2,1H3.
What are the key properties of 4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 409.56 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(5-methyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 53468207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).