1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

C9H11N3OS — CID 106392584

IUPAC1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCc1ccc(CNCc2ncon2)s1
InChIInChI=1S/C9H11N3OS/c1-7-2-3-8(14-7)4-10-5-9-11-6-13-12-9/h2-3,6,10H,4-5H2,1H3
InChIKeyWOLSYYMXJHEITP-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.73
Rot. Bonds4

About 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine

1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (PubChem CID 106392584) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
PubChem CID106392584
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
SMILESCc1ccc(CNCc2ncon2)s1
InChIInChI=1S/C9H11N3OS/c1-7-2-3-8(14-7)4-10-5-9-11-6-13-12-9/h2-3,6,10H,4-5H2,1H3
InChIKeyWOLSYYMXJHEITP-UHFFFAOYSA-N
XLogP1.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106392519
2-[5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]thiophen-2-yl]acetic acid
CID 114182928
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
1-(5-methylthiophen-2-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]ethanamine
CID 106395540
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 63280280
1-(5-methylthiophen-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60978892
1-(5-methylthiophen-2-yl)-N-(pyrazin-2-ylmethyl)methanamine
CID 62762742
N-[(5-methylthiophen-2-yl)methyl]-1-pyrimidin-4-ylmethanamine
CID 62748739
2-methylsulfanyl-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663613
N-(1,2,4-oxadiazol-3-ylmethyl)-1-(1,3-thiazol-4-yl)methanamine
CID 106393813
1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 106393533
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396072

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The IUPAC name of 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine (CID 106392584) is 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is Cc1ccc(CNCc2ncon2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
The InChIKey is WOLSYYMXJHEITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-7-2-3-8(14-7)4-10-5-9-11-6-13-12-9/h2-3,6,10H,4-5H2,1H3.
What are the key properties of 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine?
1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine has a molecular weight of 209.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine is sourced from PubChem (CID 106392584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).