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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Related Compounds

N-[2-(furan-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768400
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 11956198
2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436763
2-(furan-2-yl)-5-N-(pyridin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436766
2-(furan-2-yl)-5-N-(pyridin-3-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436767
Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
4-(5-Furan-2-yl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanylmethyl)-pyridine
CID 647418
4-(Furan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 2347622
6-[[(2R,6S)-2,6-dimethylpiperidin-1-yl]methyl]-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 45279727
2-(furan-2-yl)-5-N-(pyrazin-2-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436761
2-(furan-2-yl)-5-N-(pyridin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145971923
N-(furan-2-ylmethyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 883342

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).