N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine

C10H13N3OS — CID 104624876

IUPACN-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCc1nnc(C(C)NCc2ccco2)s1
InChIInChI=1S/C10H13N3OS/c1-7(10-13-12-8(2)15-10)11-6-9-4-3-5-14-9/h3-5,7,11H,6H2,1-2H3
InChIKeyNONRDNIYVOLESX-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.29
Rot. Bonds4

About N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine

N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine (PubChem CID 104624876) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
PubChem CID104624876
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCc1nnc(C(C)NCc2ccco2)s1
InChIInChI=1S/C10H13N3OS/c1-7(10-13-12-8(2)15-10)11-6-9-4-3-5-14-9/h3-5,7,11H,6H2,1-2H3
InChIKeyNONRDNIYVOLESX-UHFFFAOYSA-N
XLogP2.29
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624873
(1S)-N-(furan-2-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 30111067
N-[1-(furan-2-yl)propan-2-yl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982537
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 104624872
1-(1,3-dimethylpyrazol-4-yl)-N-(furan-2-ylmethyl)ethanamine
CID 19626620
N-(furan-2-ylmethyl)-1-(2,4,6-trimethyl-3-pyridinyl)ethanamine
CID 43754949
(1R)-1-(5-bromo-2-pyridinyl)-N-(furan-2-ylmethyl)ethanamine
CID 125139906
N-(furan-2-ylmethyl)-1-(4-methylsulfonylphenyl)ethanamine
CID 16774640
1-(1-ethylpyrazol-3-yl)-N-(furan-2-ylmethyl)ethanamine
CID 19626659
(2S,3R)-N-(furan-2-ylmethyl)-3-methylpentan-2-amine
CID 28608389
(1R)-1-(furan-2-yl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81402622
N-(furan-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 24700728

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine (CID 104624876) is N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine is Cc1nnc(C(C)NCc2ccco2)s1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The InChIKey is NONRDNIYVOLESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(10-13-12-8(2)15-10)11-6-9-4-3-5-14-9/h3-5,7,11H,6H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine has a molecular weight of 223.30 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine is sourced from PubChem (CID 104624876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).