N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C14H11N5OS — CID 70746856

IUPACN-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1csc(-c2nc(CNc3ccc4cc[nH]c4n3)no2)c1
InChIInChI=1S/C14H11N5OS/c1-2-10(21-7-1)14-18-12(19-20-14)8-16-11-4-3-9-5-6-15-13(9)17-11/h1-7H,8H2,(H2,15,16,17)
InChIKeyCXVDSOHGVUWGNX-UHFFFAOYSA-N
MW297.34 g/mol
LogP3.29
Rot. Bonds4

About N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 70746856) has the molecular formula C14H11N5OS and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID70746856
Molecular FormulaC14H11N5OS
Molecular Weight297.34 g/mol
Exact Mass297.07
IUPAC NameN-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESc1csc(-c2nc(CNc3ccc4cc[nH]c4n3)no2)c1
InChIInChI=1S/C14H11N5OS/c1-2-10(21-7-1)14-18-12(19-20-14)8-16-11-4-3-9-5-6-15-13(9)17-11/h1-7H,8H2,(H2,15,16,17)
InChIKeyCXVDSOHGVUWGNX-UHFFFAOYSA-N
XLogP3.29
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

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Related Compounds

4-fluoro-N-[2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)ethyl]aniline
CID 1133765
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CID 131907211
2-methyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 50977974
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine;dihydrochloride
CID 154886848
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]azepane-1-sulfonamide
CID 128953261
2,3-difluoro-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 50755903
3,3,3-trifluoro-2-methyl-2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 79791998
1,1-diphenyl-3-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 100682947
2-methyl-2-[methyl-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115638239
5-thiophen-2-yl-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
CID 10014918
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56885158
2-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 43631483

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 70746856) is N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is c1csc(-c2nc(CNc3ccc4cc[nH]c4n3)no2)c1.
What is the InChIKey of N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is CXVDSOHGVUWGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS/c1-2-10(21-7-1)14-18-12(19-20-14)8-16-11-4-3-9-5-6-15-13(9)17-11/h1-7H,8H2,(H2,15,16,17).
What are the key properties of N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 297.34 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 70746856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).