4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C17H12N6OS — CID 46865299

IUPAC4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2ccoc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C17H12N6OS/c1-10-13(12-4-2-3-6-23(12)22-10)17-20-14(11-5-7-24-8-11)15(25-17)16-18-9-19-21-16/h2-9H,1H3,(H,18,19,21)
InChIKeyYQILCBKWAIPEOP-UHFFFAOYSA-N
MW348.39 g/mol
LogP3.81
Rot. Bonds3

About 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 46865299) has the molecular formula C17H12N6OS and a molecular weight of 348.39 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID46865299
Molecular FormulaC17H12N6OS
Molecular Weight348.39 g/mol
Exact Mass348.08
IUPAC Name4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2ccoc2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C17H12N6OS/c1-10-13(12-4-2-3-6-23(12)22-10)17-20-14(11-5-7-24-8-11)15(25-17)16-18-9-19-21-16/h2-9H,1H3,(H,18,19,21)
InChIKeyYQILCBKWAIPEOP-UHFFFAOYSA-N
XLogP3.81
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 46865299) is 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cc1nn2ccccc2c1-c1nc(-c2ccoc2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is YQILCBKWAIPEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6OS/c1-10-13(12-4-2-3-6-23(12)22-10)17-20-14(11-5-7-24-8-11)15(25-17)16-18-9-19-21-16/h2-9H,1H3,(H,18,19,21).
What are the key properties of 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 348.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 46865299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).