2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C17H20ClN3O2S — CID 72847245

IUPAC2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCO)CCCC12CCN(c1nc3ccc(Cl)cc3s1)C2
InChIInChI=1S/C17H20ClN3O2S/c18-12-2-3-13-14(10-12)24-16(19-13)21-7-5-17(11-21)4-1-6-20(8-9-22)15(17)23/h2-3,10,22H,1,4-9,11H2
InChIKeyIVXBEAJFNYTFEC-UHFFFAOYSA-N
MW365.89 g/mol
LogP2.76
Rot. Bonds3

About 2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72847245) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72847245
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCO)CCCC12CCN(c1nc3ccc(Cl)cc3s1)C2
InChIInChI=1S/C17H20ClN3O2S/c18-12-2-3-13-14(10-12)24-16(19-13)21-7-5-17(11-21)4-1-6-20(8-9-22)15(17)23/h2-3,10,22H,1,4-9,11H2
InChIKeyIVXBEAJFNYTFEC-UHFFFAOYSA-N
XLogP2.76
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97209487
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134
6-chloro-2-(4,4-difluoropiperidin-1-yl)-1,3-benzothiazole
CID 166603229
[(4aS,8aS)-7-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-4a-yl]methanol
CID 135099778
2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72915393
7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72845384
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-cyclohexylethanone
CID 43982264
4-(6-chloro-1,3-benzothiazol-2-yl)morpholine
CID 2741382
(5R)-2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97193495
[(3aR,7aR)-2-(6-chloro-1,3-benzothiazol-2-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-7a-yl]methanol
CID 137345071
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262
6-chloro-2-(4-ethylpiperidin-1-yl)-1,3-benzothiazole
CID 71083482

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72847245) is 2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CCO)CCCC12CCN(c1nc3ccc(Cl)cc3s1)C2.
What is the InChIKey of 2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IVXBEAJFNYTFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c18-12-2-3-13-14(10-12)24-16(19-13)21-7-5-17(11-21)4-1-6-20(8-9-22)15(17)23/h2-3,10,22H,1,4-9,11H2.
What are the key properties of 2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 365.89 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72847245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).