N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine

C18H19N2OPS — CID 11864598

IUPACN-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine
SMILESC[P@@](=O)(Nc1ccc2ccccc2c1)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H19N2OPS/c1-22(21,18-19-16-8-4-5-9-17(16)23-18)20-15-11-10-13-6-2-3-7-14(13)12-15/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,20,21)/t22-/m0/s1
InChIKeyDFEFULSXKSEAIM-QFIPXVFZSA-N
MW342.40 g/mol
LogP4.82
Rot. Bonds3

About N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine

N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine (PubChem CID 11864598) has the molecular formula C18H19N2OPS and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine
PubChem CID11864598
Molecular FormulaC18H19N2OPS
Molecular Weight342.40 g/mol
Exact Mass342.10
IUPAC NameN-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine
SMILESC[P@@](=O)(Nc1ccc2ccccc2c1)c1nc2c(s1)CCCC2
InChIInChI=1S/C18H19N2OPS/c1-22(21,18-19-16-8-4-5-9-17(16)23-18)20-15-11-10-13-6-2-3-7-14(13)12-15/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,20,21)/t22-/m0/s1
InChIKeyDFEFULSXKSEAIM-QFIPXVFZSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]aniline
CID 2312046
N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]-3-nitroaniline
CID 11864683
N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]pyridin-2-amine
CID 27331649
2,5-dichloro-N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]aniline
CID 11864595
potassium methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphinate
CID 23722120
2,3-dichloro-N-[phenyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]aniline
CID 51394550
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 61331562
2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 82081689
4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-ylalumane
CID 163887641
2-N-benzyl-2-N-methyl-1-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 2545950
2-(2-bromophenyl)-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazole
CID 79831949
methyl 3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzoate
CID 80556455

Frequently Asked Questions

What is the IUPAC name of N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine?
The IUPAC name of N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine (CID 11864598) is N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine.
What is the SMILES notation for N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine?
The canonical SMILES for N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine is C[P@@](=O)(Nc1ccc2ccccc2c1)c1nc2c(s1)CCCC2.
What is the InChIKey of N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine?
The InChIKey is DFEFULSXKSEAIM-QFIPXVFZSA-N. The full InChI is InChI=1S/C18H19N2OPS/c1-22(21,18-19-16-8-4-5-9-17(16)23-18)20-15-11-10-13-6-2-3-7-14(13)12-15/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,20,21)/t22-/m0/s1.
What are the key properties of N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine?
N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine has a molecular weight of 342.40 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)phosphoryl]naphthalen-2-amine is sourced from PubChem (CID 11864598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).