(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

C14H9N3OS3 — CID 750725

IUPAC(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccsc1/C=c1\sc2nc(-c3cccs3)nn2c1=O
InChIInChI=1S/C14H9N3OS3/c1-8-4-6-20-10(8)7-11-13(18)17-14(21-11)15-12(16-17)9-3-2-5-19-9/h2-7H,1H3/b11-7-
InChIKeyCYLXXVGGZZZIPA-XFFZJAGNSA-N
MW331.45 g/mol
LogP2.80
Rot. Bonds2

About (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (PubChem CID 750725) has the molecular formula C14H9N3OS3 and a molecular weight of 331.45 g/mol. Its IUPAC name is (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.

Molecular Properties

Compound Name(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
PubChem CID750725
Molecular FormulaC14H9N3OS3
Molecular Weight331.45 g/mol
Exact Mass330.99
IUPAC Name(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
SMILESCc1ccsc1/C=c1\sc2nc(-c3cccs3)nn2c1=O
InChIInChI=1S/C14H9N3OS3/c1-8-4-6-20-10(8)7-11-13(18)17-14(21-11)15-12(16-17)9-3-2-5-19-9/h2-7H,1H3/b11-7-
InChIKeyCYLXXVGGZZZIPA-XFFZJAGNSA-N
XLogP2.80
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The IUPAC name of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one (CID 750725) is (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one.
What is the SMILES notation for (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The canonical SMILES for (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is Cc1ccsc1/C=c1\sc2nc(-c3cccs3)nn2c1=O.
What is the InChIKey of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
The InChIKey is CYLXXVGGZZZIPA-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H9N3OS3/c1-8-4-6-20-10(8)7-11-13(18)17-14(21-11)15-12(16-17)9-3-2-5-19-9/h2-7H,1H3/b11-7-.
What are the key properties of (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one?
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one has a molecular weight of 331.45 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-thiophen-2-yl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one is sourced from PubChem (CID 750725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).