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

C18H14N6OS — CID 118258026

IUPAC4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2ccoc2)c(-c2ncn(C)n2)s1
InChIInChI=1S/C18H14N6OS/c1-11-14(13-5-3-4-7-24(13)21-11)18-20-15(12-6-8-25-9-12)16(26-18)17-19-10-23(2)22-17/h3-10H,1-2H3
InChIKeyJMCLMMXBEIIILI-UHFFFAOYSA-N
MW362.42 g/mol
LogP3.82
Rot. Bonds3

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

4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole (PubChem CID 118258026) has the molecular formula C18H14N6OS and a molecular weight of 362.42 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
PubChem CID118258026
Molecular FormulaC18H14N6OS
Molecular Weight362.42 g/mol
Exact Mass362.09
IUPAC Name4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2ccoc2)c(-c2ncn(C)n2)s1
InChIInChI=1S/C18H14N6OS/c1-11-14(13-5-3-4-7-24(13)21-11)18-20-15(12-6-8-25-9-12)16(26-18)17-19-10-23(2)22-17/h3-10H,1-2H3
InChIKeyJMCLMMXBEIIILI-UHFFFAOYSA-N
XLogP3.82
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole (CID 118258026) is 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole is Cc1nn2ccccc2c1-c1nc(-c2ccoc2)c(-c2ncn(C)n2)s1.
What is the InChIKey of 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole?
The InChIKey is JMCLMMXBEIIILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6OS/c1-11-14(13-5-3-4-7-24(13)21-11)18-20-15(12-6-8-25-9-12)16(26-18)17-19-10-23(2)22-17/h3-10H,1-2H3.
What are the key properties of 4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole?
4-(furan-3-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole has a molecular weight of 362.42 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 8 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-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazole is sourced from PubChem (CID 118258026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).