5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one

C21H21N5O2S — CID 10476493

IUPAC5-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESC1COCCN1CC2=C3CN(C(=O)NC3=CC=C2)C4=CSC(=N4)C5=CC=NC=C5
InChIInChI=1S/C21H21N5O2S/c27-21-23-18-3-1-2-16(12-25-8-10-28-11-9-25)17(18)13-26(21)19-14-29-20(24-19)15-4-6-22-7-5-15/h1-7,14H,8-13H2,(H,23,27)
InChIKeyNLNPAKHIICQMGC-UHFFFAOYSA-N
MW407.50 g/mol
LogP1.70
Rot. Bonds4

About 5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one

5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one (PubChem CID 10476493) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
PubChem CID10476493
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name5-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one
SMILESC1COCCN1CC2=C3CN(C(=O)NC3=CC=C2)C4=CSC(=N4)C5=CC=NC=C5
InChIInChI=1S/C21H21N5O2S/c27-21-23-18-3-1-2-16(12-25-8-10-28-11-9-25)17(18)13-26(21)19-14-29-20(24-19)15-4-6-22-7-5-15/h1-7,14H,8-13H2,(H,23,27)
InChIKeyNLNPAKHIICQMGC-UHFFFAOYSA-N
XLogP1.70
TPSA98.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity569

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one with MolForge

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Related Compounds

6-Methyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 9996237
7-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 9996476
7-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10319232
6-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10359005
5-Fluoro-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10381720
7-Phenyl-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10385340
3-[4-(Pyridin-4-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10403012
3-[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10425386
3-[2-(Pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 11722798
5-(4-Methylpiperazin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 21064919
3-[2-(2-Ethylpyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 21928512
6-(4-Methylpiperazin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10250785

Frequently Asked Questions

What is the IUPAC name of 5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one?
The IUPAC name of 5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one (CID 10476493) is 5-(morpholin-4-ylmethyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one?
The canonical SMILES for 5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one is C1COCCN1CC2=C3CN(C(=O)NC3=CC=C2)C4=CSC(=N4)C5=CC=NC=C5.
What is the InChIKey of 5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one?
The InChIKey is NLNPAKHIICQMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c27-21-23-18-3-1-2-16(12-25-8-10-28-11-9-25)17(18)13-26(21)19-14-29-20(24-19)15-4-6-22-7-5-15/h1-7,14H,8-13H2,(H,23,27).
What are the key properties of 5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one?
5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one has a molecular weight of 407.50 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one is sourced from PubChem (CID 10476493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).