6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine

C19H12N6OS — CID 123165096

IUPAC6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine
SMILESCc1nc(-c2cncnc2)sc1-c1cc2occc2c(-c2ncccn2)n1
InChIInChI=1S/C19H12N6OS/c1-11-17(27-19(24-11)12-8-20-10-21-9-12)14-7-15-13(3-6-26-15)16(25-14)18-22-4-2-5-23-18/h2-10H,1H3
InChIKeyVYKLSSSBGXPGDT-UHFFFAOYSA-N
MW372.41 g/mol
LogP4.17
Rot. Bonds3

About 6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine

6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine (PubChem CID 123165096) has the molecular formula C19H12N6OS and a molecular weight of 372.41 g/mol. Its IUPAC name is 6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine.

Molecular Properties

Compound Name6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine
PubChem CID123165096
Molecular FormulaC19H12N6OS
Molecular Weight372.41 g/mol
Exact Mass372.08
IUPAC Name6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine
SMILESCc1nc(-c2cncnc2)sc1-c1cc2occc2c(-c2ncccn2)n1
InChIInChI=1S/C19H12N6OS/c1-11-17(27-19(24-11)12-8-20-10-21-9-12)14-7-15-13(3-6-26-15)16(25-14)18-22-4-2-5-23-18/h2-10H,1H3
InChIKeyVYKLSSSBGXPGDT-UHFFFAOYSA-N
XLogP4.17
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine?
The IUPAC name of 6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine (CID 123165096) is 6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine.
What is the SMILES notation for 6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine?
The canonical SMILES for 6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine is Cc1nc(-c2cncnc2)sc1-c1cc2occc2c(-c2ncccn2)n1.
What is the InChIKey of 6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine?
The InChIKey is VYKLSSSBGXPGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N6OS/c1-11-17(27-19(24-11)12-8-20-10-21-9-12)14-7-15-13(3-6-26-15)16(25-14)18-22-4-2-5-23-18/h2-10H,1H3.
What are the key properties of 6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine?
6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine has a molecular weight of 372.41 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyrimidin-2-ylfuro[3,2-c]pyridine is sourced from PubChem (CID 123165096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).