1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one

C18H21ClN4OS — CID 133451493

IUPAC1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1CCN(c2nc(-c3ccccc3Cl)cs2)CC1
InChIInChI=1S/C18H21ClN4OS/c19-15-5-2-1-4-14(15)16-12-25-18(21-16)22-10-6-13(7-11-22)23-9-3-8-20-17(23)24/h1-2,4-5,12-13H,3,6-11H2,(H,20,24)
InChIKeyFXXODSHFHMBTIQ-UHFFFAOYSA-N
MW376.91 g/mol
LogP3.85
Rot. Bonds3

About 1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one

1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one (PubChem CID 133451493) has the molecular formula C18H21ClN4OS and a molecular weight of 376.91 g/mol. Its IUPAC name is 1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one
PubChem CID133451493
Molecular FormulaC18H21ClN4OS
Molecular Weight376.91 g/mol
Exact Mass376.11
IUPAC Name1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one
SMILESO=C1NCCCN1C1CCN(c2nc(-c3ccccc3Cl)cs2)CC1
InChIInChI=1S/C18H21ClN4OS/c19-15-5-2-1-4-14(15)16-12-25-18(21-16)22-10-6-13(7-11-22)23-9-3-8-20-17(23)24/h1-2,4-5,12-13H,3,6-11H2,(H,20,24)
InChIKeyFXXODSHFHMBTIQ-UHFFFAOYSA-N
XLogP3.85
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-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-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one?
The IUPAC name of 1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one (CID 133451493) is 1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one is O=C1NCCCN1C1CCN(c2nc(-c3ccccc3Cl)cs2)CC1.
What is the InChIKey of 1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one?
The InChIKey is FXXODSHFHMBTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4OS/c19-15-5-2-1-4-14(15)16-12-25-18(21-16)22-10-6-13(7-11-22)23-9-3-8-20-17(23)24/h1-2,4-5,12-13H,3,6-11H2,(H,20,24).
What are the key properties of 1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one?
1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one has a molecular weight of 376.91 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]-1,3-diazinan-2-one is sourced from PubChem (CID 133451493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).