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

C10H13N3OS — CID 104624873

IUPACN-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCc1nnc(C(C)NCc2ccoc2)s1
InChIInChI=1S/C10H13N3OS/c1-7(10-13-12-8(2)15-10)11-5-9-3-4-14-6-9/h3-4,6-7,11H,5H2,1-2H3
InChIKeyZSAGNYVBLLGFCI-UHFFFAOYSA-N
MW223.30 g/mol
LogP2.29
Rot. Bonds4

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

N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine (PubChem CID 104624873) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
PubChem CID104624873
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC NameN-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine
SMILESCc1nnc(C(C)NCc2ccoc2)s1
InChIInChI=1S/C10H13N3OS/c1-7(10-13-12-8(2)15-10)11-5-9-3-4-14-6-9/h3-4,6-7,11H,5H2,1-2H3
InChIKeyZSAGNYVBLLGFCI-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

2-(Furan-3-yl)-4-methyl-1,3-thiazolidine
CID 66220627
2-[4-(3-furylmethyl)-3-morpholinyl]-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
CID 56901073
N-(furan-3-ylmethyl)-N'-methyl-N'-(thiolan-3-yl)ethane-1,2-diamine
CID 62559262
N-(furan-3-ylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 62577394
N-(furan-3-ylmethyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 62580278
1-[5-(furan-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylethanamine
CID 65703515
N-[[5-(furan-3-yl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 65703617
1-[5-(furan-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 65703784
N-[[5-(furan-3-yl)-1,3,4-thiadiazol-2-yl]methyl]-2-methoxyethanamine
CID 65704516
N-ethyl-1-[5-(furan-3-yl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 65704553
3-[5-(furan-3-yl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65704574
N-[[5-(furan-3-yl)-1,3,4-thiadiazol-2-yl]methyl]ethanamine
CID 65704812

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The IUPAC name of N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine (CID 104624873) is N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine.
What is the SMILES notation for N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The canonical SMILES for N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine is Cc1nnc(C(C)NCc2ccoc2)s1.
What is the InChIKey of N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
The InChIKey is ZSAGNYVBLLGFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(10-13-12-8(2)15-10)11-5-9-3-4-14-6-9/h3-4,6-7,11H,5H2,1-2H3.
What are the key properties of N-(furan-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine?
N-(furan-3-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-3-ylmethyl)-1-(5-methyl-1,3,4-thiadiazol-2-yl)ethanamine is sourced from PubChem (CID 104624873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).