5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole

C14H14ClN3S2 — CID 155564852

IUPAC5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCC(C)CSc1nnc2scc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C14H14ClN3S2/c1-9(2)7-19-13-16-17-14-18(13)12(8-20-14)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyHGLBUQRDKXVNAB-UHFFFAOYSA-N
MW323.87 g/mol
LogP4.86
Rot. Bonds4

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

5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 155564852) has the molecular formula C14H14ClN3S2 and a molecular weight of 323.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID155564852
Molecular FormulaC14H14ClN3S2
Molecular Weight323.87 g/mol
Exact Mass323.03
IUPAC Name5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCC(C)CSc1nnc2scc(-c3ccc(Cl)cc3)n12
InChIInChI=1S/C14H14ClN3S2/c1-9(2)7-19-13-16-17-14-18(13)12(8-20-14)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3
InChIKeyHGLBUQRDKXVNAB-UHFFFAOYSA-N
XLogP4.86
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 155564852) is 5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole is CC(C)CSc1nnc2scc(-c3ccc(Cl)cc3)n12.
What is the InChIKey of 5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is HGLBUQRDKXVNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3S2/c1-9(2)7-19-13-16-17-14-18(13)12(8-20-14)10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole?
5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 323.87 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(2-methylpropylsulfanyl)-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 155564852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).