(5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C18H22ClN3O2S — CID 97209487

IUPAC(5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@@]2(CCN(c3nc4ccc(Cl)cc4s3)C2)C1=O
InChIInChI=1S/C18H22ClN3O2S/c1-24-10-9-21-7-2-5-18(16(21)23)6-8-22(12-18)17-20-14-4-3-13(19)11-15(14)25-17/h3-4,11H,2,5-10,12H2,1H3/t18-/m0/s1
InChIKeyWNOYODQICTWNNO-SFHVURJKSA-N
MW379.91 g/mol
LogP3.41
Rot. Bonds4

About (5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97209487) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is (5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97209487
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name(5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@@]2(CCN(c3nc4ccc(Cl)cc4s3)C2)C1=O
InChIInChI=1S/C18H22ClN3O2S/c1-24-10-9-21-7-2-5-18(16(21)23)6-8-22(12-18)17-20-14-4-3-13(19)11-15(14)25-17/h3-4,11H,2,5-10,12H2,1H3/t18-/m0/s1
InChIKeyWNOYODQICTWNNO-SFHVURJKSA-N
XLogP3.41
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72847245
(5R)-2-(3,5-dichloro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97205529
(5R)-2-(6-ethyl-4-methylquinolin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97208542
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615
2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907338
(5R)-7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117399
(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97118355
(5R)-2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97193495
7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72840019
(5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97126852
2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile
CID 97192168
6-chloro-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 7110134

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 97209487) is (5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCC[C@@]2(CCN(c3nc4ccc(Cl)cc4s3)C2)C1=O.
What is the InChIKey of (5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is WNOYODQICTWNNO-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-24-10-9-21-7-2-5-18(16(21)23)6-8-22(12-18)17-20-14-4-3-13(19)11-15(14)25-17/h3-4,11H,2,5-10,12H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 379.91 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97209487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).