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

C13H10N2OS — CID 86818866

IUPAC2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole
SMILESCc1cncc(-c2csc(-c3ccco3)n2)c1
InChIInChI=1S/C13H10N2OS/c1-9-5-10(7-14-6-9)11-8-17-13(15-11)12-3-2-4-16-12/h2-8H,1H3
InChIKeyKKTJGBKILNZXGT-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.77
Rot. Bonds2

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

2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole (PubChem CID 86818866) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole
PubChem CID86818866
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole
SMILESCc1cncc(-c2csc(-c3ccco3)n2)c1
InChIInChI=1S/C13H10N2OS/c1-9-5-10(7-14-6-9)11-8-17-13(15-11)12-3-2-4-16-12/h2-8H,1H3
InChIKeyKKTJGBKILNZXGT-UHFFFAOYSA-N
XLogP3.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole (CID 86818866) is 2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole is Cc1cncc(-c2csc(-c3ccco3)n2)c1.
What is the InChIKey of 2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is KKTJGBKILNZXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9-5-10(7-14-6-9)11-8-17-13(15-11)12-3-2-4-16-12/h2-8H,1H3.
What are the key properties of 2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole?
2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole has a molecular weight of 242.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(5-methyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 86818866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).