2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one

C12H18ClN3O2S — CID 3846144

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
SMILESCOCCN1C(=O)CCSC1c1c(C)nn(C)c1Cl
InChIInChI=1S/C12H18ClN3O2S/c1-8-10(11(13)15(2)14-8)12-16(5-6-18-3)9(17)4-7-19-12/h12H,4-7H2,1-3H3
InChIKeyKEHZTSPWDPEWMJ-UHFFFAOYSA-N
MW303.82 g/mol
LogP1.99
Rot. Bonds4

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one (PubChem CID 3846144) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.82 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
PubChem CID3846144
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.82 g/mol
Exact Mass303.08
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one
SMILESCOCCN1C(=O)CCSC1c1c(C)nn(C)c1Cl
InChIInChI=1S/C12H18ClN3O2S/c1-8-10(11(13)15(2)14-8)12-16(5-6-18-3)9(17)4-7-19-12/h12H,4-7H2,1-3H3
InChIKeyKEHZTSPWDPEWMJ-UHFFFAOYSA-N
XLogP1.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-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-(2-methoxyethyl)-1,3-thiazinan-4-one?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one (CID 3846144) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one is COCCN1C(=O)CCSC1c1c(C)nn(C)c1Cl.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one?
The InChIKey is KEHZTSPWDPEWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-8-10(11(13)15(2)14-8)12-16(5-6-18-3)9(17)4-7-19-12/h12H,4-7H2,1-3H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one has a molecular weight of 303.82 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-(2-methoxyethyl)-1,3-thiazinan-4-one is sourced from PubChem (CID 3846144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).