4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole

C10H4N2S2 — CID 101000714

IUPAC4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole
SMILESC#Cc1csc(-c2nc(C#C)cs2)n1
InChIInChI=1S/C10H4N2S2/c1-3-7-5-13-9(11-7)10-12-8(4-2)6-14-10/h1-2,5-6H
InChIKeyVNBIAVZVTCPJLG-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.23
Rot. Bonds1

About 4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole

4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole (PubChem CID 101000714) has the molecular formula C10H4N2S2 and a molecular weight of 216.29 g/mol. Its IUPAC name is 4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole
PubChem CID101000714
Molecular FormulaC10H4N2S2
Molecular Weight216.29 g/mol
Exact Mass215.98
IUPAC Name4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole
SMILESC#Cc1csc(-c2nc(C#C)cs2)n1
InChIInChI=1S/C10H4N2S2/c1-3-7-5-13-9(11-7)10-12-8(4-2)6-14-10/h1-2,5-6H
InChIKeyVNBIAVZVTCPJLG-UHFFFAOYSA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole?
The IUPAC name of 4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole (CID 101000714) is 4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole is C#Cc1csc(-c2nc(C#C)cs2)n1.
What is the InChIKey of 4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole?
The InChIKey is VNBIAVZVTCPJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4N2S2/c1-3-7-5-13-9(11-7)10-12-8(4-2)6-14-10/h1-2,5-6H.
What are the key properties of 4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole?
4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole has a molecular weight of 216.29 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-2-(4-ethynyl-1,3-thiazol-2-yl)-1,3-thiazole is sourced from PubChem (CID 101000714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).