1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine

C11H13Cl2N3OS — CID 113348433

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCc1noc(CCNC(C)c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C11H13Cl2N3OS/c1-6(8-5-9(12)18-11(8)13)14-4-3-10-15-7(2)16-17-10/h5-6,14H,3-4H2,1-2H3
InChIKeyXCCXGDTUPCLCTM-UHFFFAOYSA-N
MW306.22 g/mol
LogP3.64
Rot. Bonds5

About 1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (PubChem CID 113348433) has the molecular formula C11H13Cl2N3OS and a molecular weight of 306.22 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
PubChem CID113348433
Molecular FormulaC11H13Cl2N3OS
Molecular Weight306.22 g/mol
Exact Mass305.02
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCc1noc(CCNC(C)c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C11H13Cl2N3OS/c1-6(8-5-9(12)18-11(8)13)14-4-3-10-15-7(2)16-17-10/h5-6,14H,3-4H2,1-2H3
InChIKeyXCCXGDTUPCLCTM-UHFFFAOYSA-N
XLogP3.64
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine with MolForge

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901634
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 115889186
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
CID 103901521
1-(4-iodophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901575
1-(4-ethoxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 103901530
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3-methylsulfanylbutan-1-amine
CID 115716103
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-4,4,4-trifluorobutan-1-amine
CID 103787665
1-(5-ethylfuran-2-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine
CID 75515317
1-(2,5-dichlorothiophen-3-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106393008
1-(2,5-dichlorothiophen-3-yl)-N-[2-(2-methoxyphenyl)ethyl]ethanamine
CID 106259694
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine (CID 113348433) is 1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is Cc1noc(CCNC(C)c2cc(Cl)sc2Cl)n1.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The InChIKey is XCCXGDTUPCLCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3OS/c1-6(8-5-9(12)18-11(8)13)14-4-3-10-15-7(2)16-17-10/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine has a molecular weight of 306.22 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 113348433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).