5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole

C19H15N5OS — CID 91893698

IUPAC5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCN(c1ncncc1-c1nc(-c3ccsc3)no1)C2
InChIInChI=1S/C19H15N5OS/c1-2-4-14-10-24(7-5-13(14)3-1)18-16(9-20-12-21-18)19-22-17(23-25-19)15-6-8-26-11-15/h1-4,6,8-9,11-12H,5,7,10H2
InChIKeyNELODBWLHCRNJE-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.82
Rot. Bonds3

About 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole

5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole (PubChem CID 91893698) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
PubChem CID91893698
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC Name5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
SMILESc1ccc2c(c1)CCN(c1ncncc1-c1nc(-c3ccsc3)no1)C2
InChIInChI=1S/C19H15N5OS/c1-2-4-14-10-24(7-5-13(14)3-1)18-16(9-20-12-21-18)19-22-17(23-25-19)15-6-8-26-11-15/h1-4,6,8-9,11-12H,5,7,10H2
InChIKeyNELODBWLHCRNJE-UHFFFAOYSA-N
XLogP3.82
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

N-(2-bromophenyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91813199
N-(2-thiophen-2-ylethyl)-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-amine
CID 91624234
[1-[5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyrimidin-4-yl]piperidin-4-yl]methanamine
CID 91893684
3-(5-iodopyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 66319531
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylpyrimidine-5-carboxylic acid
CID 42669944
5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 46390254
5-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 4054775
2-(5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 23966269
3-(5-nitropyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 141010664
3-methyl-5-[4-[4-(4-methylphenyl)piperazin-1-yl]pyrimidin-5-yl]-1,2,4-oxadiazole
CID 91893650
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyridine-3-carbonitrile
CID 102545053
8-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 95919975

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole (CID 91893698) is 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole is c1ccc2c(c1)CCN(c1ncncc1-c1nc(-c3ccsc3)no1)C2.
What is the InChIKey of 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
The InChIKey is NELODBWLHCRNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c1-2-4-14-10-24(7-5-13(14)3-1)18-16(9-20-12-21-18)19-22-17(23-25-19)15-6-8-26-11-15/h1-4,6,8-9,11-12H,5,7,10H2.
What are the key properties of 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole?
5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole has a molecular weight of 361.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-5-yl]-3-thiophen-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91893698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).