5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole

C17H12N4OS — CID 58416133

IUPAC5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccnc(-c2ccco2)n1
InChIInChI=1S/C17H12N4OS/c1-11-15(23-17(20-11)12-4-2-7-18-10-12)13-6-8-19-16(21-13)14-5-3-9-22-14/h2-10H,1H3
InChIKeyJALHTUKNYWQRAS-UHFFFAOYSA-N
MW320.38 g/mol
LogP4.23
Rot. Bonds3

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

5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (PubChem CID 58416133) has the molecular formula C17H12N4OS and a molecular weight of 320.38 g/mol. Its IUPAC name is 5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
PubChem CID58416133
Molecular FormulaC17H12N4OS
Molecular Weight320.38 g/mol
Exact Mass320.07
IUPAC Name5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole
SMILESCc1nc(-c2cccnc2)sc1-c1ccnc(-c2ccco2)n1
InChIInChI=1S/C17H12N4OS/c1-11-15(23-17(20-11)12-4-2-7-18-10-12)13-6-8-19-16(21-13)14-5-3-9-22-14/h2-10H,1H3
InChIKeyJALHTUKNYWQRAS-UHFFFAOYSA-N
XLogP4.23
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole (CID 58416133) is 5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is Cc1nc(-c2cccnc2)sc1-c1ccnc(-c2ccco2)n1.
What is the InChIKey of 5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is JALHTUKNYWQRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS/c1-11-15(23-17(20-11)12-4-2-7-18-10-12)13-6-8-19-16(21-13)14-5-3-9-22-14/h2-10H,1H3.
What are the key properties of 5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole?
5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 320.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(furan-2-yl)pyrimidin-4-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 58416133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).