2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide

C18H25N3O2S — CID 75361389

IUPAC2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C18H25N3O2S/c1-10(18-6-12-3-13(7-18)5-14(4-12)8-18)19-16(23)15-9-24-17(21-15)20-11(2)22/h9-10,12-14H,3-8H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeySZIBGDCEETXDTG-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.44
Rot. Bonds4

About 2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 75361389) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID75361389
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C18H25N3O2S/c1-10(18-6-12-3-13(7-18)5-14(4-12)8-18)19-16(23)15-9-24-17(21-15)20-11(2)22/h9-10,12-14H,3-8H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeySZIBGDCEETXDTG-UHFFFAOYSA-N
XLogP3.44
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 43170831
methyl 6-[1-(1-adamantyl)ethylcarbamoyl]pyridine-2-carboxylate
CID 75363372
2-acetamido-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazole-4-carboxamide
CID 39900328
2-acetamido-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 35262964
2-acetamido-N-(1-hydroxy-4-methylpentan-2-yl)-1,3-thiazole-4-carboxamide
CID 61247496
N-[1-(1-adamantyl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 75363348
N'-[1-(1-adamantyl)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 51117811
N-[4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 71936201
N-[1-(1-adamantyl)ethyl]-3,5-difluorobenzamide
CID 3958773
N-[1-(1-adamantyl)ethyl]-4-iodobenzamide
CID 5104352
N-[(1S)-1-(1-adamantyl)ethyl]-5-methylthiophene-2-carboxamide
CID 8025209
2-[(2-acetamido-1,3-thiazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 61243283

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide (CID 75361389) is 2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)NC(C)C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of 2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SZIBGDCEETXDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-10(18-6-12-3-13(7-18)5-14(4-12)8-18)19-16(23)15-9-24-17(21-15)20-11(2)22/h9-10,12-14H,3-8H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[1-(1-adamantyl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 75361389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).