4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole

C20H24N4OS — CID 70744935

IUPAC4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCCC23CCN(c2nc4ccccc4s2)CC3)co1
InChIInChI=1S/C20H24N4OS/c1-15-21-16(14-25-15)13-24-10-4-7-20(24)8-11-23(12-9-20)19-22-17-5-2-3-6-18(17)26-19/h2-3,5-6,14H,4,7-13H2,1H3
InChIKeyRHJWZFRBUCROFH-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.23
Rot. Bonds3

About 4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole

4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole (PubChem CID 70744935) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole
PubChem CID70744935
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole
SMILESCc1nc(CN2CCCC23CCN(c2nc4ccccc4s2)CC3)co1
InChIInChI=1S/C20H24N4OS/c1-15-21-16(14-25-15)13-24-10-4-7-20(24)8-11-23(12-9-20)19-22-17-5-2-3-6-18(17)26-19/h2-3,5-6,14H,4,7-13H2,1H3
InChIKeyRHJWZFRBUCROFH-UHFFFAOYSA-N
XLogP4.23
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole?
The IUPAC name of 4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole (CID 70744935) is 4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole.
What is the SMILES notation for 4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole?
The canonical SMILES for 4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole is Cc1nc(CN2CCCC23CCN(c2nc4ccccc4s2)CC3)co1.
What is the InChIKey of 4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole?
The InChIKey is RHJWZFRBUCROFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-15-21-16(14-25-15)13-24-10-4-7-20(24)8-11-23(12-9-20)19-22-17-5-2-3-6-18(17)26-19/h2-3,5-6,14H,4,7-13H2,1H3.
What are the key properties of 4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole?
4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole has a molecular weight of 368.51 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(1,3-benzothiazol-2-yl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]-2-methyl-1,3-oxazole is sourced from PubChem (CID 70744935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).