[4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone

C15H10FN5O2S — CID 147322486

IUPAC[4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone
SMILESNCc1nc(-c2csc(C(=O)c3c[nH]c4c(F)cccc34)n2)no1
InChIInChI=1S/C15H10FN5O2S/c16-9-3-1-2-7-8(5-18-12(7)9)13(22)15-19-10(6-24-15)14-20-11(4-17)23-21-14/h1-3,5-6,18H,4,17H2
InChIKeyDABKOKJDLIFFKX-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.50
Rot. Bonds4

About [4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone

[4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone (PubChem CID 147322486) has the molecular formula C15H10FN5O2S and a molecular weight of 343.34 g/mol. Its IUPAC name is [4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone
PubChem CID147322486
Molecular FormulaC15H10FN5O2S
Molecular Weight343.34 g/mol
Exact Mass343.05
IUPAC Name[4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone
SMILESNCc1nc(-c2csc(C(=O)c3c[nH]c4c(F)cccc34)n2)no1
InChIInChI=1S/C15H10FN5O2S/c16-9-3-1-2-7-8(5-18-12(7)9)13(22)15-19-10(6-24-15)14-20-11(4-17)23-21-14/h1-3,5-6,18H,4,17H2
InChIKeyDABKOKJDLIFFKX-UHFFFAOYSA-N
XLogP2.50
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ITE-CONHMe
CID 118656024
1-(1H-indol-3-yl)-2-[(4-methyl-1,3-thiazol-2-yl)amino]ethanone
CID 912988
N-(4-methyl-1,3-thiazol-2-yl)-2-oxo-2-[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]acetamide
CID 11132735
2,2,2-trifluoro-1-(1-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-1H-indol-3-yl)ethanone
CID 21380871
2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
CID 22515348
1-(4-fluoro-1H-indol-3-yl)-2-[4-[3-(thiazole-2-carbonyl)-2-pyridyl]piperazin-1-yl]ethane-1,2-dione
CID 49770020
2-(5-fluoro-1H-indole-3-carbonyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 147680873
1-[2-(7-fluoro-1H-indole-3-carbonyl)-1,3-thiazol-4-yl]propan-1-one
CID 152280359
5-(1H-indol-3-ylmethyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2,4-oxadiazole
CID 121561085
3-[2-(4-acetylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-1H-indole-7-carboxamide
CID 58636618
4-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-3-(2-oxopropanoyl)-1H-indole-7-carboxamide
CID 58636621
2,4-difluoro-3-[5-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]benzamide
CID 117953299

Frequently Asked Questions

What is the IUPAC name of [4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of [4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone (CID 147322486) is [4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for [4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for [4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone is NCc1nc(-c2csc(C(=O)c3c[nH]c4c(F)cccc34)n2)no1.
What is the InChIKey of [4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone?
The InChIKey is DABKOKJDLIFFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN5O2S/c16-9-3-1-2-7-8(5-18-12(7)9)13(22)15-19-10(6-24-15)14-20-11(4-17)23-21-14/h1-3,5-6,18H,4,17H2.
What are the key properties of [4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone?
[4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone has a molecular weight of 343.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-yl]-(7-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 147322486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).