4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide

C14H20N4OS — CID 154779248

IUPAC4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide
SMILESC=CCCCN1CC2CC1C2NC(=O)c1snnc1C
InChIInChI=1S/C14H20N4OS/c1-3-4-5-6-18-8-10-7-11(18)12(10)15-14(19)13-9(2)16-17-20-13/h3,10-12H,1,4-8H2,2H3,(H,15,19)
InChIKeyZOMOAHCTLFYKEY-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.62
Rot. Bonds6

About 4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide

4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide (PubChem CID 154779248) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide
PubChem CID154779248
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide
SMILESC=CCCCN1CC2CC1C2NC(=O)c1snnc1C
InChIInChI=1S/C14H20N4OS/c1-3-4-5-6-18-8-10-7-11(18)12(10)15-14(19)13-9(2)16-17-20-13/h3,10-12H,1,4-8H2,2H3,(H,15,19)
InChIKeyZOMOAHCTLFYKEY-UHFFFAOYSA-N
XLogP1.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-adamantyl)-4-methylthiadiazole-5-carboxamide
CID 3876536
1-(4-methylthiadiazol-5-yl)hex-5-en-1-one
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4-methyl-N-[(3R)-pyrrolidin-3-yl]thiadiazole-5-carboxamide
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N-(2-chlorocyclohexyl)-4-methylthiadiazole-5-carboxamide
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N-[2-(bromomethyl)cyclopentyl]-4-methylthiadiazole-5-carboxamide
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4-methyl-N-[(3S)-piperidin-3-yl]thiadiazole-5-carboxamide
CID 104982433
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
N-(2-aminocycloheptyl)-4-methylthiadiazole-5-carboxamide
CID 63258149
4-methyl-N-(3-morpholin-4-ylpropyl)thiadiazole-5-carboxamide
CID 7576732
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 146135154
N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide (CID 154779248) is 4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide is C=CCCCN1CC2CC1C2NC(=O)c1snnc1C.
What is the InChIKey of 4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide?
The InChIKey is ZOMOAHCTLFYKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-3-4-5-6-18-8-10-7-11(18)12(10)15-14(19)13-9(2)16-17-20-13/h3,10-12H,1,4-8H2,2H3,(H,15,19).
What are the key properties of 4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide?
4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-pent-4-enyl-2-azabicyclo[2.1.1]hexan-5-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 154779248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).