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

C7H13N3S — CID 58337010

IUPAC5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)C)s1
InChIInChI=1S/C7H13N3S/c1-4-6-9-10-7(11-6)8-5(2)3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyLPNUWBPOTSSIKO-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.92
Rot. Bonds3

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

5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 58337010) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID58337010
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(C)C)s1
InChIInChI=1S/C7H13N3S/c1-4-6-9-10-7(11-6)8-5(2)3/h5H,4H2,1-3H3,(H,8,10)
InChIKeyLPNUWBPOTSSIKO-UHFFFAOYSA-N
XLogP1.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 58337010) is 5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(C)C)s1.
What is the InChIKey of 5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is LPNUWBPOTSSIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-4-6-9-10-7(11-6)8-5(2)3/h5H,4H2,1-3H3,(H,8,10).
What are the key properties of 5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine?
5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 171.27 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 58337010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).