N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide

C17H23N5OS — CID 110400946

IUPACN-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide
SMILESCc1nnc2sc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)nn12
InChIInChI=1S/C17H23N5OS/c1-10-19-20-16-22(10)21-14(24-16)2-3-18-15(23)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,2-9H2,1H3,(H,18,23)
InChIKeyNUHNBCFOJJWBNG-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.37
Rot. Bonds4

About N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide

N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide (PubChem CID 110400946) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide
PubChem CID110400946
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide
SMILESCc1nnc2sc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)nn12
InChIInChI=1S/C17H23N5OS/c1-10-19-20-16-22(10)21-14(24-16)2-3-18-15(23)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,2-9H2,1H3,(H,18,23)
InChIKeyNUHNBCFOJJWBNG-UHFFFAOYSA-N
XLogP2.37
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]butanamide
CID 110400868
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110739344
4-fluoro-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110400882
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
CID 114352100
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]pyridine-2-carboxamide
CID 110665201
3-chloro-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]benzamide
CID 110400922
2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanamine
CID 28812164
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-3-phenylbenzamide
CID 110400933
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110717149
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanamide
CID 110427112
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide
CID 9398182
1-cyclohexyl-3-[(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methyl]urea
CID 110401080

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide (CID 110400946) is N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide is Cc1nnc2sc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)nn12.
What is the InChIKey of N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is NUHNBCFOJJWBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-10-19-20-16-22(10)21-14(24-16)2-3-18-15(23)17-7-11-4-12(8-17)6-13(5-11)9-17/h11-13H,2-9H2,1H3,(H,18,23).
What are the key properties of N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide?
N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110400946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).