N-[(4-methylthiadiazol-5-yl)methyl]ethanamine

C6H11N3S — CID 65199416

IUPACN-[(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNCc1snnc1C
InChIInChI=1S/C6H11N3S/c1-3-7-4-6-5(2)8-9-10-6/h7H,3-4H2,1-2H3
InChIKeyHZYIQXGDNKDFNV-UHFFFAOYSA-N
MW157.24 g/mol
LogP0.96
Rot. Bonds3

About N-[(4-methylthiadiazol-5-yl)methyl]ethanamine

N-[(4-methylthiadiazol-5-yl)methyl]ethanamine (PubChem CID 65199416) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)methyl]ethanamine
PubChem CID65199416
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN-[(4-methylthiadiazol-5-yl)methyl]ethanamine
SMILESCCNCc1snnc1C
InChIInChI=1S/C6H11N3S/c1-3-7-4-6-5(2)8-9-10-6/h7H,3-4H2,1-2H3
InChIKeyHZYIQXGDNKDFNV-UHFFFAOYSA-N
XLogP0.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)methyl]ethanamine (CID 65199416) is N-[(4-methylthiadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)methyl]ethanamine is CCNCc1snnc1C.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
The InChIKey is HZYIQXGDNKDFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-3-7-4-6-5(2)8-9-10-6/h7H,3-4H2,1-2H3.
What are the key properties of N-[(4-methylthiadiazol-5-yl)methyl]ethanamine?
N-[(4-methylthiadiazol-5-yl)methyl]ethanamine has a molecular weight of 157.24 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 65199416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).