8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C15H15ClN4O2S — CID 154829409

IUPAC8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1c(Cl)ccc2sc(N3CCC4(CC3)NC(=O)NC4=O)nc12
InChIInChI=1S/C15H15ClN4O2S/c1-8-9(16)2-3-10-11(8)17-14(23-10)20-6-4-15(5-7-20)12(21)18-13(22)19-15/h2-3H,4-7H2,1H3,(H2,18,19,21,22)
InChIKeyXCJGRJZNEVNZTO-UHFFFAOYSA-N
MW350.83 g/mol
LogP2.44
Rot. Bonds1

About 8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 154829409) has the molecular formula C15H15ClN4O2S and a molecular weight of 350.83 g/mol. Its IUPAC name is 8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID154829409
Molecular FormulaC15H15ClN4O2S
Molecular Weight350.83 g/mol
Exact Mass350.06
IUPAC Name8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1c(Cl)ccc2sc(N3CCC4(CC3)NC(=O)NC4=O)nc12
InChIInChI=1S/C15H15ClN4O2S/c1-8-9(16)2-3-10-11(8)17-14(23-10)20-6-4-15(5-7-20)12(21)18-13(22)19-15/h2-3H,4-7H2,1H3,(H2,18,19,21,22)
InChIKeyXCJGRJZNEVNZTO-UHFFFAOYSA-N
XLogP2.44
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2150683
2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 3947440
N-(5-chloro-4-methylbenzo[d]thiazol-2-yl)-2-(1,3-dioxoisoindolin-2-yl)acetamide
CID 7192867
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 7192953
1-[2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)acetyl]-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 44271355
N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)butanamide
CID 7193072
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 8840374
(4-(5-Chloro-4-methylbenzo[d]thiazol-2-yl)piperazin-1-yl)(cyclopropyl)methanone
CID 7294820
1-[4-(5-Chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7294821
(2S)-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)propanamide
CID 16246473
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-ethyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 25565563
N-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920849

Frequently Asked Questions

What is the IUPAC name of 8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 154829409) is 8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1c(Cl)ccc2sc(N3CCC4(CC3)NC(=O)NC4=O)nc12.
What is the InChIKey of 8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is XCJGRJZNEVNZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2S/c1-8-9(16)2-3-10-11(8)17-14(23-10)20-6-4-15(5-7-20)12(21)18-13(22)19-15/h2-3H,4-7H2,1H3,(H2,18,19,21,22).
What are the key properties of 8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 350.83 g/mol, XLogP of 2.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 154829409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).