N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

C11H15N5OS — CID 110385612

IUPACN-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESO=C(CCc1nn2cnnc2s1)NC1CCCC1
InChIInChI=1S/C11H15N5OS/c17-9(13-8-3-1-2-4-8)5-6-10-15-16-7-12-14-11(16)18-10/h7-8H,1-6H2,(H,13,17)
InChIKeyRTDSMUPVPNSOKY-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.18
Rot. Bonds4

About N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide

N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385612) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385612
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC NameN-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESO=C(CCc1nn2cnnc2s1)NC1CCCC1
InChIInChI=1S/C11H15N5OS/c17-9(13-8-3-1-2-4-8)5-6-10-15-16-7-12-14-11(16)18-10/h7-8H,1-6H2,(H,13,17)
InChIKeyRTDSMUPVPNSOKY-UHFFFAOYSA-N
XLogP1.18
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385612) is N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is O=C(CCc1nn2cnnc2s1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is RTDSMUPVPNSOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c17-9(13-8-3-1-2-4-8)5-6-10-15-16-7-12-14-11(16)18-10/h7-8H,1-6H2,(H,13,17).
What are the key properties of N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 265.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).