3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole

C11H8ClN3S — CID 714914

IUPAC3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESC=C1Cn2c(nnc2-c2ccc(Cl)cc2)S1
InChIInChI=1S/C11H8ClN3S/c1-7-6-15-10(13-14-11(15)16-7)8-2-4-9(12)5-3-8/h2-5H,1,6H2
InChIKeyMRFKSKZEOAAPJD-UHFFFAOYSA-N
MW249.73 g/mol
LogP3.22
Rot. Bonds1

About 3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole

3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 714914) has the molecular formula C11H8ClN3S and a molecular weight of 249.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID714914
Molecular FormulaC11H8ClN3S
Molecular Weight249.73 g/mol
Exact Mass249.01
IUPAC Name3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESC=C1Cn2c(nnc2-c2ccc(Cl)cc2)S1
InChIInChI=1S/C11H8ClN3S/c1-7-6-15-10(13-14-11(15)16-7)8-2-4-9(12)5-3-8/h2-5H,1,6H2
InChIKeyMRFKSKZEOAAPJD-UHFFFAOYSA-N
XLogP3.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.73
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,4-Triazolo(3,4-b)(1,3,4)thiadiazole, 6-(4-chlorophenyl)-3-phenyl-
CID 661784
3-(4-Chlorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole
CID 3044469
6,6-Dimethyl-3-phenyl-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 946523
Sodium 4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate
CID 23697615
2-(4-chlorophenyl)-5H-[1,2,4]triazolo[5,1-a]isoindole
CID 134450
3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole
CID 804932
3-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 1478277
3-(4-chlorophenyl)-5-(ethylthio)-N,N-dimethyl-1H-1,2,4-triazole-1-carboxamide
CID 11278342
4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-ethyl-5-(methylthio)-
CID 208016
4H-1,2,4-Triazole, 3-(2-chlorophenyl)-4-methyl-5-(methylthio)-
CID 3088012
3-(4-Chlorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[3,4-b][1,3]thiazepine
CID 830512
3-(4-Chlorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 1487852

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 714914) is 3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole is C=C1Cn2c(nnc2-c2ccc(Cl)cc2)S1.
What is the InChIKey of 3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is MRFKSKZEOAAPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S/c1-7-6-15-10(13-14-11(15)16-7)8-2-4-9(12)5-3-8/h2-5H,1,6H2.
What are the key properties of 3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole?
3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 249.73 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-methylidene-5H-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 714914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).