3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene

C11H11N3OS — CID 91029961

IUPAC3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene
SMILESCc1csc(/N=N/CC=Cc2ccco2)n1
InChIInChI=1S/C11H11N3OS/c1-9-8-16-11(13-9)14-12-6-2-4-10-5-3-7-15-10/h2-5,7-8H,6H2,1H3/b4-2?,14-12+
InChIKeyMSPZSSKSSCLBHJ-IXOUNXBVSA-N
MW233.30 g/mol
LogP3.84
Rot. Bonds4

About 3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene

3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene (PubChem CID 91029961) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene.

Molecular Properties

Compound Name3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene
PubChem CID91029961
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene
SMILESCc1csc(/N=N/CC=Cc2ccco2)n1
InChIInChI=1S/C11H11N3OS/c1-9-8-16-11(13-9)14-12-6-2-4-10-5-3-7-15-10/h2-5,7-8H,6H2,1H3/b4-2?,14-12+
InChIKeyMSPZSSKSSCLBHJ-IXOUNXBVSA-N
XLogP3.84
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene?
The IUPAC name of 3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene (CID 91029961) is 3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene.
What is the SMILES notation for 3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene?
The canonical SMILES for 3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene is Cc1csc(/N=N/CC=Cc2ccco2)n1.
What is the InChIKey of 3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene?
The InChIKey is MSPZSSKSSCLBHJ-IXOUNXBVSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-9-8-16-11(13-9)14-12-6-2-4-10-5-3-7-15-10/h2-5,7-8H,6H2,1H3/b4-2?,14-12+.
What are the key properties of 3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene?
3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene has a molecular weight of 233.30 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)prop-2-enyl-(4-methyl-1,3-thiazol-2-yl)diazene is sourced from PubChem (CID 91029961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).