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

C16H14N6OS — CID 110385964

IUPACN-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESN#Cc1cccc(NC(=O)CCc2nn3c(C4CC4)nnc3s2)c1
InChIInChI=1S/C16H14N6OS/c17-9-10-2-1-3-12(8-10)18-13(23)6-7-14-21-22-15(11-4-5-11)19-20-16(22)24-14/h1-3,8,11H,4-7H2,(H,18,23)
InChIKeySORFWOZMDYQOQN-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.51
Rot. Bonds5

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

N-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (PubChem CID 110385964) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
PubChem CID110385964
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC NameN-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
SMILESN#Cc1cccc(NC(=O)CCc2nn3c(C4CC4)nnc3s2)c1
InChIInChI=1S/C16H14N6OS/c17-9-10-2-1-3-12(8-10)18-13(23)6-7-14-21-22-15(11-4-5-11)19-20-16(22)24-14/h1-3,8,11H,4-7H2,(H,18,23)
InChIKeySORFWOZMDYQOQN-UHFFFAOYSA-N
XLogP2.51
TPSA95.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
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N-(3-cyanophenyl)-2-cyclopropylacetamide
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CID 110385796
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3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
N-(3-cyanophenyl)-4-[cyclopropyl(ethyl)amino]butanamide
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N-(3-cyanophenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
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N-(3-cyanophenyl)-2-cycloheptylacetamide
CID 115679873
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110623398
N-(3-methylphenyl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide (CID 110385964) is N-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is N#Cc1cccc(NC(=O)CCc2nn3c(C4CC4)nnc3s2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
The InChIKey is SORFWOZMDYQOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c17-9-10-2-1-3-12(8-10)18-13(23)6-7-14-21-22-15(11-4-5-11)19-20-16(22)24-14/h1-3,8,11H,4-7H2,(H,18,23).
What are the key properties of N-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide?
N-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide has a molecular weight of 338.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide is sourced from PubChem (CID 110385964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).