6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole

C4H4N3PS — CID 86173363

IUPAC6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole
SMILESCc1csc2npnn12
InChIInChI=1S/C4H4N3PS/c1-3-2-9-4-5-8-6-7(3)4/h2H,1H3
InChIKeyMRKJSQVBYLDQIG-UHFFFAOYSA-N
MW157.14 g/mol
LogP1.68
Rot. Bonds

About 6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole

6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole (PubChem CID 86173363) has the molecular formula C4H4N3PS and a molecular weight of 157.14 g/mol. Its IUPAC name is 6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole.

Molecular Properties

Compound Name6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole
PubChem CID86173363
Molecular FormulaC4H4N3PS
Molecular Weight157.14 g/mol
Exact Mass156.99
IUPAC Name6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole
SMILESCc1csc2npnn12
InChIInChI=1S/C4H4N3PS/c1-3-2-9-4-5-8-6-7(3)4/h2H,1H3
InChIKeyMRKJSQVBYLDQIG-UHFFFAOYSA-N
XLogP1.68
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole?
The IUPAC name of 6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole (CID 86173363) is 6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole.
What is the SMILES notation for 6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole?
The canonical SMILES for 6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole is Cc1csc2npnn12.
What is the InChIKey of 6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole?
The InChIKey is MRKJSQVBYLDQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N3PS/c1-3-2-9-4-5-8-6-7(3)4/h2H,1H3.
What are the key properties of 6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole?
6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole has a molecular weight of 157.14 g/mol, XLogP of 1.68, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-[1,3]thiazolo[2,3-e][1,2,4,3]triazaphosphole is sourced from PubChem (CID 86173363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).