1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone

C12H17N3OS — CID 167481320

IUPAC1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
SMILESCC1(C)C2CN(C(=O)CNc3nccs3)CC21
InChIInChI=1S/C12H17N3OS/c1-12(2)8-6-15(7-9(8)12)10(16)5-14-11-13-3-4-17-11/h3-4,8-9H,5-7H2,1-2H3,(H,13,14)
InChIKeyOGFFBXYSLPKBHE-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.67
Rot. Bonds3

About 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone

1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone (PubChem CID 167481320) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
PubChem CID167481320
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone
SMILESCC1(C)C2CN(C(=O)CNc3nccs3)CC21
InChIInChI=1S/C12H17N3OS/c1-12(2)8-6-15(7-9(8)12)10(16)5-14-11-13-3-4-17-11/h3-4,8-9H,5-7H2,1-2H3,(H,13,14)
InChIKeyOGFFBXYSLPKBHE-UHFFFAOYSA-N
XLogP1.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone with MolForge

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2976467
N-[(2S)-2-ethylhexyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 40494451
2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 137977519
2-[(2S)-2-(piperidine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 164641987
2-(4,4-difluoro-3-methylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 146132648
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]-2,8-diazaspiro[4.5]decane-3-carboxamide dihydrochloride
CID 56881420
N-((1-(thiazol-2-yl)pyrrolidin-2-yl)methyl)cyclopropanecarboxamide
CID 76148840
N,3-dimethyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide
CID 110244218
1-(2,2-dimethylpropanoyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17224269
N-(2-piperidin-1-ylethyl)-N'-(1,3-thiazol-2-yl)oxamide
CID 47263722
4,4-Dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 71146511
2-(4,4-dimethylpiperidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 91196380

Frequently Asked Questions

What is the IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone?
The IUPAC name of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone (CID 167481320) is 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone.
What is the SMILES notation for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone?
The canonical SMILES for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone is CC1(C)C2CN(C(=O)CNc3nccs3)CC21.
What is the InChIKey of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone?
The InChIKey is OGFFBXYSLPKBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-12(2)8-6-15(7-9(8)12)10(16)5-14-11-13-3-4-17-11/h3-4,8-9H,5-7H2,1-2H3,(H,13,14).
What are the key properties of 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone?
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone has a molecular weight of 251.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-2-(1,3-thiazol-2-ylamino)ethanone is sourced from PubChem (CID 167481320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).