6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one

C9H10ClN3OS — CID 11230283

IUPAC6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one
SMILESO=C1NC2(CC2)CN1Cc1cnc(Cl)s1
InChIInChI=1S/C9H10ClN3OS/c10-7-11-3-6(15-7)4-13-5-9(1-2-9)12-8(13)14/h3H,1-2,4-5H2,(H,12,14)
InChIKeyWRRAERLPFYHSNF-UHFFFAOYSA-N
MW243.72 g/mol
LogP1.85
Rot. Bonds2

About 6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one

6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one (PubChem CID 11230283) has the molecular formula C9H10ClN3OS and a molecular weight of 243.72 g/mol. Its IUPAC name is 6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one
PubChem CID11230283
Molecular FormulaC9H10ClN3OS
Molecular Weight243.72 g/mol
Exact Mass243.02
IUPAC Name6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one
SMILESO=C1NC2(CC2)CN1Cc1cnc(Cl)s1
InChIInChI=1S/C9H10ClN3OS/c10-7-11-3-6(15-7)4-13-5-9(1-2-9)12-8(13)14/h3H,1-2,4-5H2,(H,12,14)
InChIKeyWRRAERLPFYHSNF-UHFFFAOYSA-N
XLogP1.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one?
The IUPAC name of 6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one (CID 11230283) is 6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one.
What is the SMILES notation for 6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one?
The canonical SMILES for 6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one is O=C1NC2(CC2)CN1Cc1cnc(Cl)s1.
What is the InChIKey of 6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one?
The InChIKey is WRRAERLPFYHSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3OS/c10-7-11-3-6(15-7)4-13-5-9(1-2-9)12-8(13)14/h3H,1-2,4-5H2,(H,12,14).
What are the key properties of 6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one?
6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one has a molecular weight of 243.72 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,6-diazaspiro[2.4]heptan-5-one is sourced from PubChem (CID 11230283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).