N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine

C6H12N4S — CID 137472517

IUPACN-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(C(C)NC)s1
InChIInChI=1S/C6H12N4S/c1-4(7-2)5-9-10-6(8-3)11-5/h4,7H,1-3H3,(H,8,10)
InChIKeyJUVROGCYAFNULJ-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.86
Rot. Bonds3

About N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine

N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 137472517) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID137472517
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC NameN-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(C(C)NC)s1
InChIInChI=1S/C6H12N4S/c1-4(7-2)5-9-10-6(8-3)11-5/h4,7H,1-3H3,(H,8,10)
InChIKeyJUVROGCYAFNULJ-UHFFFAOYSA-N
XLogP0.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine (CID 137472517) is N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine is CNc1nnc(C(C)NC)s1.
What is the InChIKey of N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JUVROGCYAFNULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-4(7-2)5-9-10-6(8-3)11-5/h4,7H,1-3H3,(H,8,10).
What are the key properties of N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine?
N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 172.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-(methylamino)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 137472517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).