2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone

C10H13N3OS — CID 175741537

IUPAC2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)N2CC3(CNC3)C2)n1
InChIInChI=1S/C10H13N3OS/c1-7-2-15-8(12-7)9(14)13-5-10(6-13)3-11-4-10/h2,11H,3-6H2,1H3
InChIKeyIOILDCVTENQQKN-UHFFFAOYSA-N
MW223.30 g/mol
LogP0.50
Rot. Bonds1

About 2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone

2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone (PubChem CID 175741537) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone
PubChem CID175741537
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1csc(C(=O)N2CC3(CNC3)C2)n1
InChIInChI=1S/C10H13N3OS/c1-7-2-15-8(12-7)9(14)13-5-10(6-13)3-11-4-10/h2,11H,3-6H2,1H3
InChIKeyIOILDCVTENQQKN-UHFFFAOYSA-N
XLogP0.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 110696169
(4-methyl-1,3-thiazol-2-yl)-piperidin-1-ylmethanone
CID 67514784
2,6-diazaspiro[3.3]heptan-2-yl-(6-fluoro-5-methyl-2-pyridinyl)methanone;ethane
CID 176955179
ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate
CID 110696139
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(4-methyl-1,3-thiazol-2-yl)methanone
CID 167823649
2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
CID 83388796
2,6-diazaspiro[3.3]heptane-2-carbothioic S-acid
CID 170787306
(4-tert-butyl-1-cyclopentylimidazol-2-yl)-(2,6-diazaspiro[3.3]heptan-2-yl)methanone
CID 167328056
2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride
CID 121225631
1-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 20560347
2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide
CID 23003355
2-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxylic acid
CID 103357450

Frequently Asked Questions

What is the IUPAC name of 2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of 2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone (CID 175741537) is 2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for 2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for 2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone is Cc1csc(C(=O)N2CC3(CNC3)C2)n1.
What is the InChIKey of 2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone?
The InChIKey is IOILDCVTENQQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7-2-15-8(12-7)9(14)13-5-10(6-13)3-11-4-10/h2,11H,3-6H2,1H3.
What are the key properties of 2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone?
2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone has a molecular weight of 223.30 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazaspiro[3.3]heptan-2-yl-(4-methyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 175741537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).