4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide

C11H13ClN6O2S — CID 102885453

IUPAC4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H13ClN6O2S/c1-8-7-21(19,20)6-5-17(8)10-14-9(12)15-11(16-10)18-4-2-3-13-18/h2-4,8H,5-7H2,1H3
InChIKeyPAHADSJFXVQXGV-UHFFFAOYSA-N
MW328.79 g/mol
LogP0.33
Rot. Bonds2

About 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide

4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 102885453) has the molecular formula C11H13ClN6O2S and a molecular weight of 328.79 g/mol. Its IUPAC name is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID102885453
Molecular FormulaC11H13ClN6O2S
Molecular Weight328.79 g/mol
Exact Mass328.05
IUPAC Name4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C11H13ClN6O2S/c1-8-7-21(19,20)6-5-17(8)10-14-9(12)15-11(16-10)18-4-2-3-13-18/h2-4,8H,5-7H2,1H3
InChIKeyPAHADSJFXVQXGV-UHFFFAOYSA-N
XLogP0.33
TPSA93.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.79
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(6-chloro-2-pyridinyl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885503
4-chloro-N-(1,1-dioxothian-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 63924548
1-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65324477
2-chloro-4-(4-propan-2-ylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazine
CID 103500945
4-(6-chloro-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 102885486
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-ethylmorpholine
CID 62864402
3-methyl-4-(3,5,6-trichloro-2-pyridinyl)-1,4-thiazinane 1,1-dioxide
CID 102885437
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-1,4-thiazinane 1-oxide
CID 62865159
4-(5-iodopyrimidin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide
CID 104843890
6-chloro-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyridine-3-carboxylic acid
CID 102883883
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
CID 63607830
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazin-2-one
CID 62868187

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide (CID 102885453) is 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1c1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is PAHADSJFXVQXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O2S/c1-8-7-21(19,20)6-5-17(8)10-14-9(12)15-11(16-10)18-4-2-3-13-18/h2-4,8H,5-7H2,1H3.
What are the key properties of 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide?
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 328.79 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 102885453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).