2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine

C12H17N3OS — CID 105177552

IUPAC2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1ccoc1)NC
InChIInChI=1S/C12H17N3OS/c1-3-4-10-12(17-15-14-10)11(13-2)7-9-5-6-16-8-9/h5-6,8,11,13H,3-4,7H2,1-2H3
InChIKeyAQCXODALLACNDU-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.59
Rot. Bonds6

About 2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine

2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine (PubChem CID 105177552) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
PubChem CID105177552
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
SMILESCCCc1nnsc1C(Cc1ccoc1)NC
InChIInChI=1S/C12H17N3OS/c1-3-4-10-12(17-15-14-10)11(13-2)7-9-5-6-16-8-9/h5-6,8,11,13H,3-4,7H2,1-2H3
InChIKeyAQCXODALLACNDU-UHFFFAOYSA-N
XLogP2.59
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105101333
1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105177764
2-(1-ethylpyrazol-4-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105114391
2-(2,5-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105151334
2-(furan-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105177550
[furan-3-yl-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105305826
2-(2,3-dichlorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 107312365
2-(3-ethyl-1-methylpyrazol-5-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105160085
N-methyl-1-(4-propylthiadiazol-5-yl)nonan-1-amine
CID 105127772
2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105136164
2-(3,5-dimethylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105098842
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine (CID 105177552) is 2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine is CCCc1nnsc1C(Cc1ccoc1)NC.
What is the InChIKey of 2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
The InChIKey is AQCXODALLACNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-3-4-10-12(17-15-14-10)11(13-2)7-9-5-6-16-8-9/h5-6,8,11,13H,3-4,7H2,1-2H3.
What are the key properties of 2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine?
2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine has a molecular weight of 251.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 105177552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).