2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole

C13H17N2OPS — CID 3404373

IUPAC2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole
SMILESCP(=O)(c1nc2ccccc2s1)N1CCCCC1
InChIInChI=1S/C13H17N2OPS/c1-17(16,15-9-5-2-6-10-15)13-14-11-7-3-4-8-12(11)18-13/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyFKEQLHCPAMKGHC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.32
Rot. Bonds2

About 2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole

2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole (PubChem CID 3404373) has the molecular formula C13H17N2OPS and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole
PubChem CID3404373
Molecular FormulaC13H17N2OPS
Molecular Weight280.33 g/mol
Exact Mass280.08
IUPAC Name2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole
SMILESCP(=O)(c1nc2ccccc2s1)N1CCCCC1
InChIInChI=1S/C13H17N2OPS/c1-17(16,15-9-5-2-6-10-15)13-14-11-7-3-4-8-12(11)18-13/h3-4,7-8H,2,5-6,9-10H2,1H3
InChIKeyFKEQLHCPAMKGHC-UHFFFAOYSA-N
XLogP3.32
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole 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

2-[4-[[azepan-1-yl(ethoxy)phosphoryl]methyl]phenyl]-1,3-benzothiazole
CID 14783635
2-(2-piperidin-1-ylethenyl)-1,3-benzothiazole
CID 154110849
2-cyclopentylsulfonyl-1,3-benzothiazole
CID 101459308
N-(1-piperidin-1-ylpropan-2-yl)-1,3-benzothiazol-2-amine
CID 54937957
N-(1,3-benzothiazol-2-yl)-2-piperidin-1-ylacetamide
CID 788494
azepan-1-yl-[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]methanone
CID 2394761
dihydroxy(oxo)phosphanium;2-methyl-1,3-benzothiazole
CID 68800497
bis(1,3-benzothiazol-2-amine);phosphoric acid
CID 175581696
2-methyl-1,3-benzothiazole;urea
CID 161197769
3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 76857549
3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 60629326
N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-benzothiazol-2-amine
CID 47283339

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole?
The IUPAC name of 2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole (CID 3404373) is 2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole.
What is the SMILES notation for 2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole?
The canonical SMILES for 2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole is CP(=O)(c1nc2ccccc2s1)N1CCCCC1.
What is the InChIKey of 2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole?
The InChIKey is FKEQLHCPAMKGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N2OPS/c1-17(16,15-9-5-2-6-10-15)13-14-11-7-3-4-8-12(11)18-13/h3-4,7-8H,2,5-6,9-10H2,1H3.
What are the key properties of 2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole?
2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole has a molecular weight of 280.33 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-1-yl)phosphoryl]-1,3-benzothiazole is sourced from PubChem (CID 3404373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).