N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine

C11H17N5S — CID 118771191

IUPACN-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCc1nnc(CN(C)CCn2ccnc2C)s1
InChIInChI=1S/C11H17N5S/c1-9-12-4-5-16(9)7-6-15(3)8-11-14-13-10(2)17-11/h4-5H,6-8H2,1-3H3
InChIKeyAXMJPJYEKABDFI-UHFFFAOYSA-N
MW251.36 g/mol
LogP1.48
Rot. Bonds5

About N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine

N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine (PubChem CID 118771191) has the molecular formula C11H17N5S and a molecular weight of 251.36 g/mol. Its IUPAC name is N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
PubChem CID118771191
Molecular FormulaC11H17N5S
Molecular Weight251.36 g/mol
Exact Mass251.12
IUPAC NameN-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
SMILESCc1nnc(CN(C)CCn2ccnc2C)s1
InChIInChI=1S/C11H17N5S/c1-9-12-4-5-16(9)7-6-15(3)8-11-14-13-10(2)17-11/h4-5H,6-8H2,1-3H3
InChIKeyAXMJPJYEKABDFI-UHFFFAOYSA-N
XLogP1.48
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine (CID 118771191) is N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine is Cc1nnc(CN(C)CCn2ccnc2C)s1.
What is the InChIKey of N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
The InChIKey is AXMJPJYEKABDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5S/c1-9-12-4-5-16(9)7-6-15(3)8-11-14-13-10(2)17-11/h4-5H,6-8H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine?
N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine has a molecular weight of 251.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylimidazol-1-yl)-N-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 118771191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).