phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate

C17H11ClN4O2S — CID 108728485

IUPACphenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate
SMILESO=C(Nc1nc2scc(-c3ccc(Cl)cc3)n2n1)Oc1ccccc1
InChIInChI=1S/C17H11ClN4O2S/c18-12-8-6-11(7-9-12)14-10-25-16-19-15(21-22(14)16)20-17(23)24-13-4-2-1-3-5-13/h1-10H,(H,20,21,23)
InChIKeyMIYKOTBVSDXHGW-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.72
Rot. Bonds3

About phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate

phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate (PubChem CID 108728485) has the molecular formula C17H11ClN4O2S and a molecular weight of 370.82 g/mol. Its IUPAC name is phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate
PubChem CID108728485
Molecular FormulaC17H11ClN4O2S
Molecular Weight370.82 g/mol
Exact Mass370.03
IUPAC Namephenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate
SMILESO=C(Nc1nc2scc(-c3ccc(Cl)cc3)n2n1)Oc1ccccc1
InChIInChI=1S/C17H11ClN4O2S/c18-12-8-6-11(7-9-12)14-10-25-16-19-15(21-22(14)16)20-17(23)24-13-4-2-1-3-5-13/h1-10H,(H,20,21,23)
InChIKeyMIYKOTBVSDXHGW-UHFFFAOYSA-N
XLogP4.72
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate?
The IUPAC name of phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate (CID 108728485) is phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate.
What is the SMILES notation for phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate?
The canonical SMILES for phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate is O=C(Nc1nc2scc(-c3ccc(Cl)cc3)n2n1)Oc1ccccc1.
What is the InChIKey of phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate?
The InChIKey is MIYKOTBVSDXHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O2S/c18-12-8-6-11(7-9-12)14-10-25-16-19-15(21-22(14)16)20-17(23)24-13-4-2-1-3-5-13/h1-10H,(H,20,21,23).
What are the key properties of phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate?
phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate has a molecular weight of 370.82 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[6-(4-chlorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]carbamate is sourced from PubChem (CID 108728485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).