2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide

C15H20N2OS — CID 2741141

IUPAC2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1nccs1
InChIInChI=1S/C15H20N2OS/c18-13(17-14-16-1-2-19-14)9-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12H,3-9H2,(H,16,17,18)
InChIKeyQCHKABRSUMSQLY-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.69
Rot. Bonds3

About 2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide

2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2741141) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2741141
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)Nc1nccs1
InChIInChI=1S/C15H20N2OS/c18-13(17-14-16-1-2-19-14)9-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12H,3-9H2,(H,16,17,18)
InChIKeyQCHKABRSUMSQLY-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Adamantan-1-ylmethyl-3-thiazol-2-yl-thiourea
CID 3003031
2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
CID 2666601
3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 711478
N,N'-di-1,3-thiazol-2-yl-1,3-adamantanedicarboxamide
CID 2882964
Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-methanone
CID 18138918
N-(1,3-thiazol-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 3121269
1-(1-Adamantyl)-3-thiazol-2-yl-urea
CID 4686891
4-tert-butyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 1246597
3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 2999599
N-[5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide
CID 4356652
N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 585608
Cambridge id 6046138
CID 2882356

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide (CID 2741141) is 2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nccs1.
What is the InChIKey of 2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is QCHKABRSUMSQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c18-13(17-14-16-1-2-19-14)9-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,10-12H,3-9H2,(H,16,17,18).
What are the key properties of 2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide?
2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2741141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).