4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

C15H10N2OS — CID 70073926

IUPAC4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2cncc(-c3ccco3)c2)cs1
InChIInChI=1S/C15H10N2OS/c1-11-17-14(10-19-11)5-4-12-7-13(9-16-8-12)15-3-2-6-18-15/h2-3,6-10H,1H3
InChIKeyFVRLPAXYSRYIQV-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.51
Rot. Bonds1

About 4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (PubChem CID 70073926) has the molecular formula C15H10N2OS and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
PubChem CID70073926
Molecular FormulaC15H10N2OS
Molecular Weight266.32 g/mol
Exact Mass266.05
IUPAC Name4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2cncc(-c3ccco3)c2)cs1
InChIInChI=1S/C15H10N2OS/c1-11-17-14(10-19-11)5-4-12-7-13(9-16-8-12)15-3-2-6-18-15/h2-3,6-10H,1H3
InChIKeyFVRLPAXYSRYIQV-UHFFFAOYSA-N
XLogP3.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.51
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-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (CID 70073926) is 4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is Cc1nc(C#Cc2cncc(-c3ccco3)c2)cs1.
What is the InChIKey of 4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is FVRLPAXYSRYIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS/c1-11-17-14(10-19-11)5-4-12-7-13(9-16-8-12)15-3-2-6-18-15/h2-3,6-10H,1H3.
What are the key properties of 4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 266.32 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 70073926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).