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

C15H22N4OS — CID 82176478

IUPACN-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
SMILESNCCc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C15H22N4OS/c16-2-1-12-18-19-14(21-12)17-13(20)15-6-9-3-10(7-15)5-11(4-9)8-15/h9-11H,1-8,16H2,(H,17,19,20)
InChIKeyHFYAGHUTNHODQH-UHFFFAOYSA-N
MW306.44 g/mol
LogP2.19
Rot. Bonds4

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

N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide (PubChem CID 82176478) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
PubChem CID82176478
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC NameN-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
SMILESNCCc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C15H22N4OS/c16-2-1-12-18-19-14(21-12)17-13(20)15-6-9-3-10(7-15)5-11(4-9)8-15/h9-11H,1-8,16H2,(H,17,19,20)
InChIKeyHFYAGHUTNHODQH-UHFFFAOYSA-N
XLogP2.19
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 108744312
(5S,7R)-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
CID 7718666
3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
CID 24683823
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 17144240
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176550
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide
CID 9398182
(5S,7R)-3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 30803688
(5S,7R)-N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-chloroadamantane-1-carboxamide
CID 7729200
N-[5-(3-aminopropyl)-1,3,4-thiadiazol-2-yl]cyclohexanecarboxamide
CID 82176519
N-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 82176294
1-(aminomethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclobutane-1-carboxamide
CID 106261056
N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
CID 46271917

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide (CID 82176478) is N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide is NCCc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide?
The InChIKey is HFYAGHUTNHODQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c16-2-1-12-18-19-14(21-12)17-13(20)15-6-9-3-10(7-15)5-11(4-9)8-15/h9-11H,1-8,16H2,(H,17,19,20).
What are the key properties of N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide?
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide has a molecular weight of 306.44 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 82176478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).