N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide

C17H25N3OS — CID 17144240

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
SMILESCCc1nnc(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)s1
InChIInChI=1S/C17H25N3OS/c1-4-12-19-20-14(22-12)18-13(21)17-7-11-5-15(2,9-17)8-16(3,6-11)10-17/h11H,4-10H2,1-3H3,(H,18,20,21)
InChIKeyDCMIKGXHLBXNAJ-UHFFFAOYSA-N
MW319.47 g/mol
LogP4.04
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide (PubChem CID 17144240) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
PubChem CID17144240
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
SMILESCCc1nnc(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)s1
InChIInChI=1S/C17H25N3OS/c1-4-12-19-20-14(22-12)18-13(21)17-7-11-5-15(2,9-17)8-16(3,6-11)10-17/h11H,4-10H2,1-3H3,(H,18,20,21)
InChIKeyDCMIKGXHLBXNAJ-UHFFFAOYSA-N
XLogP4.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,7R)-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
CID 7718666
(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 878630
N-(5-cyano-1,3-thiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 85472605
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616725
(2R)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
CID 129414179
(3R,5S)-N-(1,3-benzothiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide
CID 971289
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943678
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutyl]adamantane-1-carboxamide
CID 9398182
N-[5-(2-aminoethyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 82176478
4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 113335005
3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
CID 24683823
methyl 2-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]acetate
CID 27194648

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide (CID 17144240) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide is CCc1nnc(NC(=O)C23CC4CC(C)(CC(C)(C4)C2)C3)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is DCMIKGXHLBXNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-4-12-19-20-14(22-12)18-13(21)17-7-11-5-15(2,9-17)8-16(3,6-11)10-17/h11H,4-10H2,1-3H3,(H,18,20,21).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 319.47 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 17144240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).