N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

C24H24N4O3S — CID 32983881

IUPACN-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C24H24N4O3S/c29-20(11-14-28-22(30)24(27-23(28)31)12-4-1-5-13-24)25-17-8-6-7-16(15-17)21-26-18-9-2-3-10-19(18)32-21/h2-3,6-10,15H,1,4-5,11-14H2,(H,25,29)(H,27,31)
InChIKeyYOHFZEGMYDHPPR-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.55
Rot. Bonds5

About N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (PubChem CID 32983881) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
PubChem CID32983881
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESO=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C24H24N4O3S/c29-20(11-14-28-22(30)24(27-23(28)31)12-4-1-5-13-24)25-17-8-6-7-16(15-17)21-26-18-9-2-3-10-19(18)32-21/h2-3,6-10,15H,1,4-5,11-14H2,(H,25,29)(H,27,31)
InChIKeyYOHFZEGMYDHPPR-UHFFFAOYSA-N
XLogP4.55
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.55
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

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylpyrimidin-5-yl)propanamide
CID 46653682
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 34288911
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(2-oxoazepan-1-yl)acetamide
CID 34289832
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(2R)-5-oxopyrrolidin-2-yl]propanamide
CID 92627494
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78837215
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylpropanamide
CID 17468537
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(3-nitrophenyl)propanamide
CID 18192866
S-[2-[3-(1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ethanethioate
CID 16949140
3-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoylamino]-N-ethylbenzamide
CID 17446914
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(9H-fluoren-2-yl)propanamide
CID 26783736
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide
CID 34288974
N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 3454814

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (CID 32983881) is N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is O=C(CCN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc(-c2nc3ccccc3s2)c1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The InChIKey is YOHFZEGMYDHPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c29-20(11-14-28-22(30)24(27-23(28)31)12-4-1-5-13-24)25-17-8-6-7-16(15-17)21-26-18-9-2-3-10-19(18)32-21/h2-3,6-10,15H,1,4-5,11-14H2,(H,25,29)(H,27,31).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 448.55 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 32983881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).