5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine

C9H12ClN3O2S2 — CID 174408185

IUPAC5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine
SMILESCc1sc2c(c1Cl)N(N)C(C(C)C)=NS2(=O)=O
InChIInChI=1S/C9H12ClN3O2S2/c1-4(2)8-12-17(14,15)9-7(13(8)11)6(10)5(3)16-9/h4H,11H2,1-3H3
InChIKeyCJPPUGANLTXWEI-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.15
Rot. Bonds1

About 5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine

5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine (PubChem CID 174408185) has the molecular formula C9H12ClN3O2S2 and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine.

Molecular Properties

Compound Name5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine
PubChem CID174408185
Molecular FormulaC9H12ClN3O2S2
Molecular Weight293.80 g/mol
Exact Mass293.01
IUPAC Name5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine
SMILESCc1sc2c(c1Cl)N(N)C(C(C)C)=NS2(=O)=O
InChIInChI=1S/C9H12ClN3O2S2/c1-4(2)8-12-17(14,15)9-7(13(8)11)6(10)5(3)16-9/h4H,11H2,1-3H3
InChIKeyCJPPUGANLTXWEI-UHFFFAOYSA-N
XLogP2.15
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine?
The IUPAC name of 5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine (CID 174408185) is 5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine.
What is the SMILES notation for 5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine?
The canonical SMILES for 5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine is Cc1sc2c(c1Cl)N(N)C(C(C)C)=NS2(=O)=O.
What is the InChIKey of 5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine?
The InChIKey is CJPPUGANLTXWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O2S2/c1-4(2)8-12-17(14,15)9-7(13(8)11)6(10)5(3)16-9/h4H,11H2,1-3H3.
What are the key properties of 5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine?
5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine has a molecular weight of 293.80 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-1,1-dioxo-3-propan-2-ylthieno[3,2-e][1,2,4]thiadiazin-4-amine is sourced from PubChem (CID 174408185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).