N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine

C6H9N3S — CID 90378790

IUPACN-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine
SMILESCNC1(c2nncs2)CC1
InChIInChI=1S/C6H9N3S/c1-7-6(2-3-6)5-9-8-4-10-5/h4,7H,2-3H2,1H3
InChIKeyATPJLGQORCOLSK-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.75
Rot. Bonds2

About N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine

N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine (PubChem CID 90378790) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine
PubChem CID90378790
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC NameN-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine
SMILESCNC1(c2nncs2)CC1
InChIInChI=1S/C6H9N3S/c1-7-6(2-3-6)5-9-8-4-10-5/h4,7H,2-3H2,1H3
InChIKeyATPJLGQORCOLSK-UHFFFAOYSA-N
XLogP0.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine?
The IUPAC name of N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine (CID 90378790) is N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine.
What is the SMILES notation for N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine?
The canonical SMILES for N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine is CNC1(c2nncs2)CC1.
What is the InChIKey of N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine?
The InChIKey is ATPJLGQORCOLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-7-6(2-3-6)5-9-8-4-10-5/h4,7H,2-3H2,1H3.
What are the key properties of N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine?
N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine has a molecular weight of 155.23 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 90378790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).