1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone

C15H18N4OS — CID 151838974

IUPAC1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc2scnc2c1)N1CCC2(CC1)CNCN2
InChIInChI=1S/C15H18N4OS/c20-14(11-1-2-13-12(7-11)17-10-21-13)19-5-3-15(4-6-19)8-16-9-18-15/h1-2,7,10,16,18H,3-6,8-9H2
InChIKeySGGIVPGDWJTYNQ-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.42
Rot. Bonds1

About 1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone

1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone (PubChem CID 151838974) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone
PubChem CID151838974
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccc2scnc2c1)N1CCC2(CC1)CNCN2
InChIInChI=1S/C15H18N4OS/c20-14(11-1-2-13-12(7-11)17-10-21-13)19-5-3-15(4-6-19)8-16-9-18-15/h1-2,7,10,16,18H,3-6,8-9H2
InChIKeySGGIVPGDWJTYNQ-UHFFFAOYSA-N
XLogP1.42
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzothiazole-6-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63123521
(4aS,8aS)-7-(1,3-benzothiazole-5-carbonyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135117078
1,3-benzothiazol-5-yl(spiro[4,5-dihydro-1H-cyclopenta[d]pyrazole-6,3'-piperidine]-1'-yl)methanone
CID 138810024
1,3-benzothiazol-5-yl-(6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 163317714
1,3-benzothiazol-6-yl(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
CID 74237717
8-[4-(1,3-benzothiazol-5-yl)benzoyl]-2-oxa-5,8,11-triazaspiro[3.8]dodecan-12-one
CID 155267707
1,3-benzothiazol-5-yl-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 134704458
1,3-benzothiazol-6-yl-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72934015
[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(1,3-benzothiazol-5-yl)methanone
CID 134706093
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-[4-(methylamino)piperidin-1-yl]methanone
CID 119562736
1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 2496275

Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of 1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone (CID 151838974) is 1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for 1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for 1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone is O=C(c1ccc2scnc2c1)N1CCC2(CC1)CNCN2.
What is the InChIKey of 1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is SGGIVPGDWJTYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-14(11-1-2-13-12(7-11)17-10-21-13)19-5-3-15(4-6-19)8-16-9-18-15/h1-2,7,10,16,18H,3-6,8-9H2.
What are the key properties of 1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone?
1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 302.40 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-5-yl(1,3,8-triazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 151838974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).