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

C12H17N5OS — CID 110385614

IUPACN-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESO=C(CCc1nn2cnnc2s1)NC1CCCCC1
InChIInChI=1S/C12H17N5OS/c18-10(14-9-4-2-1-3-5-9)6-7-11-16-17-8-13-15-12(17)19-11/h8-9H,1-7H2,(H,14,18)
InChIKeyZLMSOCIXFRCYDE-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.57
Rot. Bonds4

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

N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385614) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385614
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC NameN-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESO=C(CCc1nn2cnnc2s1)NC1CCCCC1
InChIInChI=1S/C12H17N5OS/c18-10(14-9-4-2-1-3-5-9)6-7-11-16-17-8-13-15-12(17)19-11/h8-9H,1-7H2,(H,14,18)
InChIKeyZLMSOCIXFRCYDE-UHFFFAOYSA-N
XLogP1.57
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385614) is N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is O=C(CCc1nn2cnnc2s1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is ZLMSOCIXFRCYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c18-10(14-9-4-2-1-3-5-9)6-7-11-16-17-8-13-15-12(17)19-11/h8-9H,1-7H2,(H,14,18).
What are the key properties of N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 279.37 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).