N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide

C20H25N3O3S — CID 154570413

IUPACN-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide
SMILESO=C(CCO)NC1CCCC12CCN(C(=O)c1ccc3ncsc3c1)CC2
InChIInChI=1S/C20H25N3O3S/c24-11-5-18(25)22-17-2-1-6-20(17)7-9-23(10-8-20)19(26)14-3-4-15-16(12-14)27-13-21-15/h3-4,12-13,17,24H,1-2,5-11H2,(H,22,25)
InChIKeyUHLHMIOFZAOWSI-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.57
Rot. Bonds4

About N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide

N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide (PubChem CID 154570413) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide
PubChem CID154570413
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC NameN-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide
SMILESO=C(CCO)NC1CCCC12CCN(C(=O)c1ccc3ncsc3c1)CC2
InChIInChI=1S/C20H25N3O3S/c24-11-5-18(25)22-17-2-1-6-20(17)7-9-23(10-8-20)19(26)14-3-4-15-16(12-14)27-13-21-15/h3-4,12-13,17,24H,1-2,5-11H2,(H,22,25)
InChIKeyUHLHMIOFZAOWSI-UHFFFAOYSA-N
XLogP2.57
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide 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

1,3-benzothiazol-6-yl-[4-(methylamino)piperidin-1-yl]methanone
CID 119562736
1-(1,3-benzothiazole-6-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123521
1,3-benzothiazol-6-yl-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 61410984
1,3-benzothiazol-6-yl-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 70765958
1,3-benzothiazol-6-yl-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 56910797
methyl 1-(1,3-benzothiazole-6-carbonyl)piperidine-4-carboxylate
CID 43404805
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,3-benzothiazol-6-yl)methanone
CID 121184075
(3R)-1-(1,3-benzothiazole-6-carbonyl)piperidine-3-carboxylic acid
CID 81118458
1,3-benzothiazol-6-yl(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 74237717
3-[1-(1,3-benzothiazole-6-carbonyl)piperidin-3-yl]propanamide
CID 126766405
1,3-benzothiazol-6-yl-[4-[2-(4-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 47017726
1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 2496275

Frequently Asked Questions

What is the IUPAC name of N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide?
The IUPAC name of N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide (CID 154570413) is N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide.
What is the SMILES notation for N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide?
The canonical SMILES for N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide is O=C(CCO)NC1CCCC12CCN(C(=O)c1ccc3ncsc3c1)CC2.
What is the InChIKey of N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide?
The InChIKey is UHLHMIOFZAOWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-11-5-18(25)22-17-2-1-6-20(17)7-9-23(10-8-20)19(26)14-3-4-15-16(12-14)27-13-21-15/h3-4,12-13,17,24H,1-2,5-11H2,(H,22,25).
What are the key properties of N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide?
N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide has a molecular weight of 387.51 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(1,3-benzothiazole-6-carbonyl)-8-azaspiro[4.5]decan-4-yl]-3-hydroxypropanamide is sourced from PubChem (CID 154570413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).