1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine

C7H11N3S — CID 105157282

IUPAC1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cnns1)C1CC1
InChIInChI=1S/C7H11N3S/c1-8-7(5-2-3-5)6-4-9-10-11-6/h4-5,7-8H,2-3H2,1H3
InChIKeyUJSUZWMGSQFCSU-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.21
Rot. Bonds3

About 1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine

1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine (PubChem CID 105157282) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine
PubChem CID105157282
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine
SMILESCNC(c1cnns1)C1CC1
InChIInChI=1S/C7H11N3S/c1-8-7(5-2-3-5)6-4-9-10-11-6/h4-5,7-8H,2-3H2,1H3
InChIKeyUJSUZWMGSQFCSU-UHFFFAOYSA-N
XLogP1.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine (CID 105157282) is 1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine is CNC(c1cnns1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine?
The InChIKey is UJSUZWMGSQFCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-8-7(5-2-3-5)6-4-9-10-11-6/h4-5,7-8H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine?
1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine has a molecular weight of 169.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-1-(thiadiazol-5-yl)methanamine is sourced from PubChem (CID 105157282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).