2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide

C12H18N4OS — CID 81491285

IUPAC2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCC2CCC(C1)N2)Nc1nccs1
InChIInChI=1S/C12H18N4OS/c17-11(15-12-13-4-6-18-12)8-16-5-3-9-1-2-10(7-16)14-9/h4,6,9-10,14H,1-3,5,7-8H2,(H,13,15,17)
InChIKeyDKMPYPKEQMGUPO-UHFFFAOYSA-N
MW266.37 g/mol
LogP0.91
Rot. Bonds3

About 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 81491285) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID81491285
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCC2CCC(C1)N2)Nc1nccs1
InChIInChI=1S/C12H18N4OS/c17-11(15-12-13-4-6-18-12)8-16-5-3-9-1-2-10(7-16)14-9/h4,6,9-10,14H,1-3,5,7-8H2,(H,13,15,17)
InChIKeyDKMPYPKEQMGUPO-UHFFFAOYSA-N
XLogP0.91
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81490149
2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 104976722
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171704376
2-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 171999925
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 81495475
2-[4-(2-fluorophenyl)piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 16674348
(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
CID 25490937
3-(4-hydroxypiperidin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 86217821
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 115314292
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119927713

Frequently Asked Questions

What is the IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 81491285) is 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCC2CCC(C1)N2)Nc1nccs1.
What is the InChIKey of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is DKMPYPKEQMGUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c17-11(15-12-13-4-6-18-12)8-16-5-3-9-1-2-10(7-16)14-9/h4,6,9-10,14H,1-3,5,7-8H2,(H,13,15,17).
What are the key properties of 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 266.37 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 81491285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).