N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide

C18H25N3O2S — CID 4568827

IUPACN-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
SMILESCCN(CC(=O)Nc1nccs1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O2S/c1-2-21(11-15(22)20-17-19-3-4-24-17)16(23)18-8-12-5-13(9-18)7-14(6-12)10-18/h3-4,12-14H,2,5-11H2,1H3,(H,19,20,22)
InChIKeyFQHFVNJGORPOSD-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.15
Rot. Bonds5

About N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide

N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide (PubChem CID 4568827) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
PubChem CID4568827
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
SMILESCCN(CC(=O)Nc1nccs1)C(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H25N3O2S/c1-2-21(11-15(22)20-17-19-3-4-24-17)16(23)18-8-12-5-13(9-18)7-14(6-12)10-18/h3-4,12-14H,2,5-11H2,1H3,(H,19,20,22)
InChIKeyFQHFVNJGORPOSD-UHFFFAOYSA-N
XLogP3.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]thiophene-2-carboxamide
CID 814245
2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3581376
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 86910837
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 814302
N-ethyl-2-(4-fluorophenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814271
N'-[1-(1-adamantyl)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 51117811
2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 813261
N-ethyl-2-methoxy-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 814268
N-ethyl-2-(4-methoxyphenyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]acetamide
CID 814252
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 47123380
(5S,7R)-3-acetamido-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
CID 95044326
2-[(5R,7R)-3-bromo-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 98125965

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide (CID 4568827) is N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide is CCN(CC(=O)Nc1nccs1)C(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide?
The InChIKey is FQHFVNJGORPOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-2-21(11-15(22)20-17-19-3-4-24-17)16(23)18-8-12-5-13(9-18)7-14(6-12)10-18/h3-4,12-14H,2,5-11H2,1H3,(H,19,20,22).
What are the key properties of N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide?
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 4568827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).