5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine

C6H9N3S — CID 819786

IUPAC5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CC2CC2)s1
InChIInChI=1S/C6H9N3S/c7-6-9-8-5(10-6)3-4-1-2-4/h4H,1-3H2,(H2,7,9)
InChIKeyWBXJSQZWPQDHJY-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.07
Rot. Bonds2

About 5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine

5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 819786) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID819786
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(CC2CC2)s1
InChIInChI=1S/C6H9N3S/c7-6-9-8-5(10-6)3-4-1-2-4/h4H,1-3H2,(H2,7,9)
InChIKeyWBXJSQZWPQDHJY-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine (CID 819786) is 5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine is Nc1nnc(CC2CC2)s1.
What is the InChIKey of 5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is WBXJSQZWPQDHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c7-6-9-8-5(10-6)3-4-1-2-4/h4H,1-3H2,(H2,7,9).
What are the key properties of 5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine?
5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 155.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 819786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).