N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide

C9H11N3OS — CID 130826214

IUPACN-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide
SMILESO=C(Nc1nccs1)C1C2CNC1C2
InChIInChI=1S/C9H11N3OS/c13-8(12-9-10-1-2-14-9)7-5-3-6(7)11-4-5/h1-2,5-7,11H,3-4H2,(H,10,12,13)
InChIKeyYUACBKPDCMTODC-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.69
Rot. Bonds2

About N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide

N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide (PubChem CID 130826214) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide
PubChem CID130826214
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC NameN-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide
SMILESO=C(Nc1nccs1)C1C2CNC1C2
InChIInChI=1S/C9H11N3OS/c13-8(12-9-10-1-2-14-9)7-5-3-6(7)11-4-5/h1-2,5-7,11H,3-4H2,(H,10,12,13)
InChIKeyYUACBKPDCMTODC-UHFFFAOYSA-N
XLogP0.69
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-4-hydroxy-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
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CID 99720494
5-oxo-N-(1,3-thiazol-2-yl)piperazine-2-carboxamide
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cis-(1R,2S)-3-methylidene-1-N,2-N-bis(1,3-thiazol-2-yl)cyclopropane-1,2-dicarboxamide
CID 2313436
(1R,4S,6R,9R)-10,10-dichloro-N-(1,3-thiazol-2-yl)tricyclo[7.1.0.04,6]decane-5-carboxamide
CID 98506991
(2R)-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide;hydrochloride
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CID 124720731
(1S,2R,3S,4R)-3-(1,3-thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 51416164
(1S,2S,3R,4R)-3-(1,3-thiazol-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100709412
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide (CID 130826214) is N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide is O=C(Nc1nccs1)C1C2CNC1C2.
What is the InChIKey of N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide?
The InChIKey is YUACBKPDCMTODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c13-8(12-9-10-1-2-14-9)7-5-3-6(7)11-4-5/h1-2,5-7,11H,3-4H2,(H,10,12,13).
What are the key properties of N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide?
N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide has a molecular weight of 209.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-2-azabicyclo[2.1.1]hexane-5-carboxamide is sourced from PubChem (CID 130826214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).