1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine

C6H9N3S — CID 126970498

IUPAC1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine
SMILESNC1(Cc2nncs2)CC1
InChIInChI=1S/C6H9N3S/c7-6(1-2-6)3-5-9-8-4-10-5/h4H,1-3,7H2
InChIKeyBEGSPYQIWJTURI-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.57
Rot. Bonds2

About 1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine

1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine (PubChem CID 126970498) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine
PubChem CID126970498
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine
SMILESNC1(Cc2nncs2)CC1
InChIInChI=1S/C6H9N3S/c7-6(1-2-6)3-5-9-8-4-10-5/h4H,1-3,7H2
InChIKeyBEGSPYQIWJTURI-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-1,3,4-Thiadiazol-2-yl-cyclopropylamine
CID 67116043
1-1,3,4-Thiadiazol-2-yl-cyclopropylamine hydrobromide
CID 67390587
1-(1,3,4-Thiadiazol-2-yl)cyclopropanamine hydrochloride
CID 132988518
Hydron;1-(1,3,4-thiadiazol-2-yl)cyclopropan-1-amine;bromide
CID 134285302
3-Methyl-1-(1,3,4-thiadiazol-2-yl)butan-2-amine
CID 64157611
1-Cyclopropyl-2-(1,3,4-thiadiazol-2-yl)ethanamine
CID 64159377
2-(1,3,4-Thiadiazol-2-yl)pentan-3-amine
CID 64159602
2-Methyl-1-(1,3,4-thiadiazol-2-yl)propan-2-amine
CID 126970505
2-(1,3,4-Thiadiazol-2-yl)butan-2-amine
CID 130545496
1-[(5-Methyl-1,3,4-thiadiazol-2-yl)methyl]cyclopropan-1-amine
CID 164653821

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine (CID 126970498) is 1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine is NC1(Cc2nncs2)CC1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine?
The InChIKey is BEGSPYQIWJTURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c7-6(1-2-6)3-5-9-8-4-10-5/h4H,1-3,7H2.
What are the key properties of 1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine?
1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine has a molecular weight of 155.23 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 126970498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).