(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine

C6H9N3S — CID 64982598

IUPAC(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine
SMILESNCc1nnc(C2CC2)s1
InChIInChI=1S/C6H9N3S/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3,7H2
InChIKeyWLAIOTMIXQNEST-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.87
Rot. Bonds2

About (5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine

(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine (PubChem CID 64982598) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is (5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine
PubChem CID64982598
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine
SMILESNCc1nnc(C2CC2)s1
InChIInChI=1S/C6H9N3S/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3,7H2
InChIKeyWLAIOTMIXQNEST-UHFFFAOYSA-N
XLogP0.87
TPSA51.80 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 ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-Ethyl-1,3,4-thiadiazol-2-yl)methanamine
CID 46318317
(5-Tert-butyl-1,3,4-thiadiazol-2-yl)methanamine
CID 64982687
(5-Ethyl-1,3,4-thiadiazol-2-yl)methanamine hydrochloride
CID 50998533
(5-Tert-butyl-1,3,4-thiadiazol-2-yl)methanamine hydrochloride
CID 71755750
3-(5-Methyl-1,3,4-thiadiazol-2-yl)propan-1-amine
CID 65726171
[5-(2-Fluoropropan-2-yl)-1,3,4-thiadiazol-2-yl]methanamine
CID 130561788
2-Cyclopropyl-5-methyl-1,3,4-thiadiazole
CID 22946443
2-Cyclopropyl-5-ethyl-1,3,4-thiadiazole
CID 57608634
[5-(Propan-2-YL)-1,3,4-thiadiazol-2-YL]methanamine
CID 64985314
2-[5-(Aminomethyl)-1,3,4-thiadiazol-2-yl]butan-1-amine
CID 91100561
2-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)ethanamine
CID 64982643
2-[5-(Propan-2-yl)-1,3,4-thiadiazol-2-yl]ethan-1-amine
CID 64982644

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine?
The IUPAC name of (5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine (CID 64982598) is (5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine.
What is the SMILES notation for (5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine?
The canonical SMILES for (5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine is NCc1nnc(C2CC2)s1.
What is the InChIKey of (5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine?
The InChIKey is WLAIOTMIXQNEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c7-3-5-8-9-6(10-5)4-1-2-4/h4H,1-3,7H2.
What are the key properties of (5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine?
(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine has a molecular weight of 155.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanamine is sourced from PubChem (CID 64982598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).