5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

C9H14N4S — CID 90834255

IUPAC5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCCCNc1nn2c(CC)cnc2s1
InChIInChI=1S/C9H14N4S/c1-3-5-10-8-12-13-7(4-2)6-11-9(13)14-8/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyBJBHLXDUGMMSAJ-UHFFFAOYSA-N
MW210.31 g/mol
LogP2.18
Rot. Bonds4

About 5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 90834255) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is 5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID90834255
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC Name5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCCCNc1nn2c(CC)cnc2s1
InChIInChI=1S/C9H14N4S/c1-3-5-10-8-12-13-7(4-2)6-11-9(13)14-8/h6H,3-5H2,1-2H3,(H,10,12)
InChIKeyBJBHLXDUGMMSAJ-UHFFFAOYSA-N
XLogP2.18
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 90834255) is 5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is CCCNc1nn2c(CC)cnc2s1.
What is the InChIKey of 5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is BJBHLXDUGMMSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-3-5-10-8-12-13-7(4-2)6-11-9(13)14-8/h6H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 210.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-propylimidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 90834255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).