5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine

C8H13N3S — CID 82105762

IUPAC5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(C2CC2)s1
InChIInChI=1S/C8H13N3S/c1-5(2)9-8-11-10-7(12-8)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,11)
InChIKeyYOHPXLKYGKSTME-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.24
Rot. Bonds3

About 5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine

5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 82105762) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID82105762
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)Nc1nnc(C2CC2)s1
InChIInChI=1S/C8H13N3S/c1-5(2)9-8-11-10-7(12-8)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,11)
InChIKeyYOHPXLKYGKSTME-UHFFFAOYSA-N
XLogP2.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 82105762) is 5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)Nc1nnc(C2CC2)s1.
What is the InChIKey of 5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is YOHPXLKYGKSTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-5(2)9-8-11-10-7(12-8)6-3-4-6/h5-6H,3-4H2,1-2H3,(H,9,11).
What are the key properties of 5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 183.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82105762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).