N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide

C19H28N4O2S — CID 9398182

IUPACN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide
SMILESCCc1nnc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C19H28N4O2S/c1-2-16-22-23-18(26-16)21-15(24)4-3-5-20-17(25)19-9-12-6-13(10-19)8-14(7-12)11-19/h12-14H,2-11H2,1H3,(H,20,25)(H,21,23,24)
InChIKeyUWULSUFBZSLHGB-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.15
Rot. Bonds7

About N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide

N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide (PubChem CID 9398182) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide
PubChem CID9398182
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide
SMILESCCc1nnc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C19H28N4O2S/c1-2-16-22-23-18(26-16)21-15(24)4-3-5-20-17(25)19-9-12-6-13(10-19)8-14(7-12)11-19/h12-14H,2-11H2,1H3,(H,20,25)(H,21,23,24)
InChIKeyUWULSUFBZSLHGB-UHFFFAOYSA-N
XLogP3.15
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S,7R)-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
CID 7718666
N-[3-oxo-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]propyl]adamantane-1-carboxamide
CID 27991563
N-[4-(3-ethylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9397326
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(methylamino)propanamide
CID 107641879
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]thiophene-3-carboxamide
CID 30275509
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 17144240
methyl 5-[4-(adamantane-1-carbonylamino)butanoylamino]thiophene-2-carboxylate
CID 26467634
N-[4-[2-(4-ethylbenzoyl)hydrazinyl]-4-oxobutyl]adamantane-1-carboxamide
CID 9020837
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 82176478
N-[4-(5-chloro-2-methylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9398365
N-[4-(3-fluoro-4-methylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9427529
N-[4-(3-chloro-4-methylanilino)-4-oxobutyl]adamantane-1-carboxamide
CID 9395723

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide?
The IUPAC name of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide (CID 9398182) is N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide is CCc1nnc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide?
The InChIKey is UWULSUFBZSLHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-2-16-22-23-18(26-16)21-15(24)4-3-5-20-17(25)19-9-12-6-13(10-19)8-14(7-12)11-19/h12-14H,2-11H2,1H3,(H,20,25)(H,21,23,24).
What are the key properties of N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide?
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide has a molecular weight of 376.53 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide is sourced from PubChem (CID 9398182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).