2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one

C15H18ClN5OS — CID 3802555

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one
SMILESCc1cnc(CN2C(=O)CCSC2c2c(C)nn(C)c2Cl)cn1
InChIInChI=1S/C15H18ClN5OS/c1-9-6-18-11(7-17-9)8-21-12(22)4-5-23-15(21)13-10(2)19-20(3)14(13)16/h6-7,15H,4-5,8H2,1-3H3
InChIKeyAWTFHDGXOWSJGD-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.64
Rot. Bonds3

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one (PubChem CID 3802555) has the molecular formula C15H18ClN5OS and a molecular weight of 351.86 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one
PubChem CID3802555
Molecular FormulaC15H18ClN5OS
Molecular Weight351.86 g/mol
Exact Mass351.09
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one
SMILESCc1cnc(CN2C(=O)CCSC2c2c(C)nn(C)c2Cl)cn1
InChIInChI=1S/C15H18ClN5OS/c1-9-6-18-11(7-17-9)8-21-12(22)4-5-23-15(21)13-10(2)19-20(3)14(13)16/h6-7,15H,4-5,8H2,1-3H3
InChIKeyAWTFHDGXOWSJGD-UHFFFAOYSA-N
XLogP2.64
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-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 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one (CID 3802555) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one is Cc1cnc(CN2C(=O)CCSC2c2c(C)nn(C)c2Cl)cn1.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one?
The InChIKey is AWTFHDGXOWSJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5OS/c1-9-6-18-11(7-17-9)8-21-12(22)4-5-23-15(21)13-10(2)19-20(3)14(13)16/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one has a molecular weight of 351.86 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazinan-4-one is sourced from PubChem (CID 3802555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).