1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine

C13H19N3OS — CID 105177764

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1snnc1C(C)(C)C
InChIInChI=1S/C13H19N3OS/c1-13(2,3)12-11(18-16-15-12)10(14-4)7-9-5-6-17-8-9/h5-6,8,10,14H,7H2,1-4H3
InChIKeyUCNOGOJAROBTTB-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.93
Rot. Bonds4

About 1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine

1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine (PubChem CID 105177764) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine
PubChem CID105177764
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1snnc1C(C)(C)C
InChIInChI=1S/C13H19N3OS/c1-13(2,3)12-11(18-16-15-12)10(14-4)7-9-5-6-17-8-9/h5-6,8,10,14H,7H2,1-4H3
InChIKeyUCNOGOJAROBTTB-UHFFFAOYSA-N
XLogP2.93
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-3-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)ethanamine
CID 105177552
1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 105109845
2-(furan-3-yl)-N-methyl-1-(thiadiazol-4-yl)ethanamine
CID 105177550
1-(4-tert-butylthiadiazol-5-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 105158676
1-(4-tert-butylthiadiazol-5-yl)-N-methyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030592
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
[1-(4-tert-butylthiadiazol-5-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105287990
N-[1-(4-tert-butylthiadiazol-5-yl)-2-phenylethyl]propan-1-amine
CID 105084863
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105287290
2-(4-tert-butylphenyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105136164
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83176188
1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 105078291

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine (CID 105177764) is 1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine is CNC(Cc1ccoc1)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine?
The InChIKey is UCNOGOJAROBTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-13(2,3)12-11(18-16-15-12)10(14-4)7-9-5-6-17-8-9/h5-6,8,10,14H,7H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine?
1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 105177764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).