(4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone

C16H11N3OS2 — CID 3737291

IUPAC(4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone
SMILESCc1ccc(C(=O)c2sc3ncnn3c2-c2cccs2)cc1
InChIInChI=1S/C16H11N3OS2/c1-10-4-6-11(7-5-10)14(20)15-13(12-3-2-8-21-12)19-16(22-15)17-9-18-19/h2-9H,1H3
InChIKeyVJOWAKNZPTUTDJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.06
Rot. Bonds3

About (4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone

(4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone (PubChem CID 3737291) has the molecular formula C16H11N3OS2 and a molecular weight of 325.42 g/mol. Its IUPAC name is (4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone
PubChem CID3737291
Molecular FormulaC16H11N3OS2
Molecular Weight325.42 g/mol
Exact Mass325.03
IUPAC Name(4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone
SMILESCc1ccc(C(=O)c2sc3ncnn3c2-c2cccs2)cc1
InChIInChI=1S/C16H11N3OS2/c1-10-4-6-11(7-5-10)14(20)15-13(12-3-2-8-21-12)19-16(22-15)17-9-18-19/h2-9H,1H3
InChIKeyVJOWAKNZPTUTDJ-UHFFFAOYSA-N
XLogP4.06
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone?
The IUPAC name of (4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone (CID 3737291) is (4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone is Cc1ccc(C(=O)c2sc3ncnn3c2-c2cccs2)cc1.
What is the InChIKey of (4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone?
The InChIKey is VJOWAKNZPTUTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS2/c1-10-4-6-11(7-5-10)14(20)15-13(12-3-2-8-21-12)19-16(22-15)17-9-18-19/h2-9H,1H3.
What are the key properties of (4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone?
(4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone has a molecular weight of 325.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(6-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methanone is sourced from PubChem (CID 3737291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).