4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide

C10H11ClF3N3O2S — CID 106768500

IUPAC4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3O2S/c1-6-5-20(18,19)3-2-17(6)8-4-7(11)15-9(16-8)10(12,13)14/h4,6H,2-3,5H2,1H3
InChIKeyJMBBEQLMIAXAOM-UHFFFAOYSA-N
MW329.73 g/mol
LogP1.77
Rot. Bonds1

About 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide

4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide (PubChem CID 106768500) has the molecular formula C10H11ClF3N3O2S and a molecular weight of 329.73 g/mol. Its IUPAC name is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide
PubChem CID106768500
Molecular FormulaC10H11ClF3N3O2S
Molecular Weight329.73 g/mol
Exact Mass329.02
IUPAC Name4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide
SMILESCC1CS(=O)(=O)CCN1c1cc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H11ClF3N3O2S/c1-6-5-20(18,19)3-2-17(6)8-4-7(11)15-9(16-8)10(12,13)14/h4,6H,2-3,5H2,1H3
InChIKeyJMBBEQLMIAXAOM-UHFFFAOYSA-N
XLogP1.77
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide (CID 106768500) is 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide is CC1CS(=O)(=O)CCN1c1cc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide?
The InChIKey is JMBBEQLMIAXAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3O2S/c1-6-5-20(18,19)3-2-17(6)8-4-7(11)15-9(16-8)10(12,13)14/h4,6H,2-3,5H2,1H3.
What are the key properties of 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide?
4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide has a molecular weight of 329.73 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-3-methyl-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 106768500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).