3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

C12H12ClN3OS — CID 1322754

IUPAC3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1ccc(N2CN=C3SCC(=O)N3C2)cc1Cl
InChIInChI=1S/C12H12ClN3OS/c1-8-2-3-9(4-10(8)13)15-6-14-12-16(7-15)11(17)5-18-12/h2-4H,5-7H2,1H3
InChIKeyCMUUQYVXLPTCDI-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.31
Rot. Bonds1

About 3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one

3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (PubChem CID 1322754) has the molecular formula C12H12ClN3OS and a molecular weight of 281.77 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
PubChem CID1322754
Molecular FormulaC12H12ClN3OS
Molecular Weight281.77 g/mol
Exact Mass281.04
IUPAC Name3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
SMILESCc1ccc(N2CN=C3SCC(=O)N3C2)cc1Cl
InChIInChI=1S/C12H12ClN3OS/c1-8-2-3-9(4-10(8)13)15-6-14-12-16(7-15)11(17)5-18-12/h2-4H,5-7H2,1H3
InChIKeyCMUUQYVXLPTCDI-UHFFFAOYSA-N
XLogP2.31
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The IUPAC name of 3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one (CID 1322754) is 3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one.
What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The canonical SMILES for 3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is Cc1ccc(N2CN=C3SCC(=O)N3C2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
The InChIKey is CMUUQYVXLPTCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS/c1-8-2-3-9(4-10(8)13)15-6-14-12-16(7-15)11(17)5-18-12/h2-4H,5-7H2,1H3.
What are the key properties of 3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one?
3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one has a molecular weight of 281.77 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylphenyl)-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one is sourced from PubChem (CID 1322754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).