2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide

C14H13F2N3OS — CID 167830807

IUPAC2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide
SMILESCc1nc2ccc(NC(=O)C3NCC34CC4(F)F)cc2s1
InChIInChI=1S/C14H13F2N3OS/c1-7-18-9-3-2-8(4-10(9)21-7)19-12(20)11-13(6-17-11)5-14(13,15)16/h2-4,11,17H,5-6H2,1H3,(H,19,20)
InChIKeyNTBWUEJDGORDLR-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.54
Rot. Bonds2

About 2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide

2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide (PubChem CID 167830807) has the molecular formula C14H13F2N3OS and a molecular weight of 309.34 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide
PubChem CID167830807
Molecular FormulaC14H13F2N3OS
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Name2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide
SMILESCc1nc2ccc(NC(=O)C3NCC34CC4(F)F)cc2s1
InChIInChI=1S/C14H13F2N3OS/c1-7-18-9-3-2-8(4-10(9)21-7)19-12(20)11-13(6-17-11)5-14(13,15)16/h2-4,11,17H,5-6H2,1H3,(H,19,20)
InChIKeyNTBWUEJDGORDLR-UHFFFAOYSA-N
XLogP2.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide with MolForge

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702522
trans-(1S,2S)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 7742031
4-[(2-methyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674363
N-(2-methyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 43702559
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 114996370
1-(cyclopropanecarbonyl)-N-(2-methyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 26115537
4-(aminomethyl)-N-(2-methyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 79511681
2-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 60651842
3-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 66009345
5-(4-fluorophenyl)-N-(2-methyl-1,3-benzothiazol-6-yl)pyrazolidine-3-carboxamide
CID 75118963
2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 30152613
2-(azetidin-3-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)acetamide
CID 64617382

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide?
The IUPAC name of 2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide (CID 167830807) is 2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide?
The canonical SMILES for 2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide is Cc1nc2ccc(NC(=O)C3NCC34CC4(F)F)cc2s1.
What is the InChIKey of 2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide?
The InChIKey is NTBWUEJDGORDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3OS/c1-7-18-9-3-2-8(4-10(9)21-7)19-12(20)11-13(6-17-11)5-14(13,15)16/h2-4,11,17H,5-6H2,1H3,(H,19,20).
What are the key properties of 2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide?
2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)-5-azaspiro[2.3]hexane-6-carboxamide is sourced from PubChem (CID 167830807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).