1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine

C13H18N4S — CID 56708011

IUPAC1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine
SMILESCCc1ccc(CN(C)Cc2snnc2C)nc1
InChIInChI=1S/C13H18N4S/c1-4-11-5-6-12(14-7-11)8-17(3)9-13-10(2)15-16-18-13/h5-7H,4,8-9H2,1-3H3
InChIKeyFFUMXVRJDIZWAQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.44
Rot. Bonds5

About 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine

1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine (PubChem CID 56708011) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine
PubChem CID56708011
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine
SMILESCCc1ccc(CN(C)Cc2snnc2C)nc1
InChIInChI=1S/C13H18N4S/c1-4-11-5-6-12(14-7-11)8-17(3)9-13-10(2)15-16-18-13/h5-7H,4,8-9H2,1-3H3
InChIKeyFFUMXVRJDIZWAQ-UHFFFAOYSA-N
XLogP2.44
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine (CID 56708011) is 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine is CCc1ccc(CN(C)Cc2snnc2C)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine?
The InChIKey is FFUMXVRJDIZWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-4-11-5-6-12(14-7-11)8-17(3)9-13-10(2)15-16-18-13/h5-7H,4,8-9H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine?
1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine has a molecular weight of 262.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[(4-methylthiadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 56708011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).