3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide

C16H21N3O2S — CID 2999599

IUPAC3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESCC(=O)NC12CC3CC(C1)CC(C(=O)Nc1nccs1)(C3)C2
InChIInChI=1S/C16H21N3O2S/c1-10(20)19-16-7-11-4-12(8-16)6-15(5-11,9-16)13(21)18-14-17-2-3-22-14/h2-3,11-12H,4-9H2,1H3,(H,19,20)(H,17,18,21)
InChIKeyPTRYZAWRJXRCJV-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.56
Rot. Bonds3

About 3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide

3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide (PubChem CID 2999599) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
PubChem CID2999599
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
SMILESCC(=O)NC12CC3CC(C1)CC(C(=O)Nc1nccs1)(C3)C2
InChIInChI=1S/C16H21N3O2S/c1-10(20)19-16-7-11-4-12(8-16)6-15(5-11,9-16)13(21)18-14-17-2-3-22-14/h2-3,11-12H,4-9H2,1H3,(H,19,20)(H,17,18,21)
InChIKeyPTRYZAWRJXRCJV-UHFFFAOYSA-N
XLogP2.56
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S,7R)-3-acetamido-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
CID 95044326
(5S,7R)-3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 30803688
(3R,5S)-3,5-dimethyl-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 878630
3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 24536593
3-acetamido-N-(5-pentyl-1,3,4-thiadiazol-2-yl)adamantane-1-carboxamide
CID 24683823
3-acetamido-N-(6-methyl-1,3-benzothiazol-2-yl)adamantane-1-carboxamide
CID 42904431
(5S,7R)-3-acetamido-N-[(1S)-1-pyridin-4-ylethyl]adamantane-1-carboxamide
CID 25361275
2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3581376
(5R,7R)-3-acetamido-N-[4-(3-methylpyrazol-1-yl)phenyl]adamantane-1-carboxamide
CID 98215106
3-acetamido-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]adamantane-1-carboxamide
CID 17485108
ethyl N-[[(5R,7R)-3-acetamidoadamantane-1-carbonyl]amino]carbamate
CID 98301742
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
CID 4568827

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The IUPAC name of 3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide (CID 2999599) is 3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The canonical SMILES for 3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide is CC(=O)NC12CC3CC(C1)CC(C(=O)Nc1nccs1)(C3)C2.
What is the InChIKey of 3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
The InChIKey is PTRYZAWRJXRCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10(20)19-16-7-11-4-12(8-16)6-15(5-11,9-16)13(21)18-14-17-2-3-22-14/h2-3,11-12H,4-9H2,1H3,(H,19,20)(H,17,18,21).
What are the key properties of 3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide?
3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide is sourced from PubChem (CID 2999599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).