[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone

C17H25N3OS — CID 95192511

IUPAC[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone
SMILESCN1CC[C@]2(CCCN(C(=O)c3nc4c(s3)CCCC4)C2)C1
InChIInChI=1S/C17H25N3OS/c1-19-10-8-17(11-19)7-4-9-20(12-17)16(21)15-18-13-5-2-3-6-14(13)22-15/h2-12H2,1H3/t17-/m1/s1
InChIKeyTVHCBQRHENAQMP-QGZVFWFLSA-N
MW319.47 g/mol
LogP2.58
Rot. Bonds1

About [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone

[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone (PubChem CID 95192511) has the molecular formula C17H25N3OS and a molecular weight of 319.47 g/mol. Its IUPAC name is [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone.

Molecular Properties

Compound Name[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone
PubChem CID95192511
Molecular FormulaC17H25N3OS
Molecular Weight319.47 g/mol
Exact Mass319.17
IUPAC Name[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone
SMILESCN1CC[C@]2(CCCN(C(=O)c3nc4c(s3)CCCC4)C2)C1
InChIInChI=1S/C17H25N3OS/c1-19-10-8-17(11-19)7-4-9-20(12-17)16(21)15-18-13-5-2-3-6-14(13)22-15/h2-12H2,1H3/t17-/m1/s1
InChIKeyTVHCBQRHENAQMP-QGZVFWFLSA-N
XLogP2.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone?
The IUPAC name of [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone (CID 95192511) is [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone.
What is the SMILES notation for [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone?
The canonical SMILES for [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone is CN1CC[C@]2(CCCN(C(=O)c3nc4c(s3)CCCC4)C2)C1.
What is the InChIKey of [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone?
The InChIKey is TVHCBQRHENAQMP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25N3OS/c1-19-10-8-17(11-19)7-4-9-20(12-17)16(21)15-18-13-5-2-3-6-14(13)22-15/h2-12H2,1H3/t17-/m1/s1.
What are the key properties of [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone?
[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone has a molecular weight of 319.47 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanone is sourced from PubChem (CID 95192511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).