1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one

C14H22N4OS — CID 174334866

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one
SMILESCc1csc(N2CCCN(CC3CCNCC3)C2=O)n1
InChIInChI=1S/C14H22N4OS/c1-11-10-20-13(16-11)18-8-2-7-17(14(18)19)9-12-3-5-15-6-4-12/h10,12,15H,2-9H2,1H3
InChIKeyCLAGMJJDYALXRG-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.08
Rot. Bonds3

About 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one

1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one (PubChem CID 174334866) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one
PubChem CID174334866
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one
SMILESCc1csc(N2CCCN(CC3CCNCC3)C2=O)n1
InChIInChI=1S/C14H22N4OS/c1-11-10-20-13(16-11)18-8-2-7-17(14(18)19)9-12-3-5-15-6-4-12/h10,12,15H,2-9H2,1H3
InChIKeyCLAGMJJDYALXRG-UHFFFAOYSA-N
XLogP2.08
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one 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 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one (CID 174334866) is 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one is Cc1csc(N2CCCN(CC3CCNCC3)C2=O)n1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one?
The InChIKey is CLAGMJJDYALXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-11-10-20-13(16-11)18-8-2-7-17(14(18)19)9-12-3-5-15-6-4-12/h10,12,15H,2-9H2,1H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one?
1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one has a molecular weight of 294.42 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-(piperidin-4-ylmethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 174334866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).