N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine

C15H12F2N2S — CID 28665051

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine
SMILESFc1ccc(CNCc2nc3ccccc3s2)c(F)c1
InChIInChI=1S/C15H12F2N2S/c16-11-6-5-10(12(17)7-11)8-18-9-15-19-13-3-1-2-4-14(13)20-15/h1-7,18H,8-9H2
InChIKeyOCEGNDXRWQBEKK-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.86
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine (PubChem CID 28665051) has the molecular formula C15H12F2N2S and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine
PubChem CID28665051
Molecular FormulaC15H12F2N2S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine
SMILESFc1ccc(CNCc2nc3ccccc3s2)c(F)c1
InChIInChI=1S/C15H12F2N2S/c16-11-6-5-10(12(17)7-11)8-18-9-15-19-13-3-1-2-4-14(13)20-15/h1-7,18H,8-9H2
InChIKeyOCEGNDXRWQBEKK-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1,3-benzothiazol-2-ylmethylamino)methyl]benzene-1,3-diol
CID 28665229
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,5-dimethylphenyl)methanamine
CID 60669491
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-4-fluoroaniline
CID 60671832
2-[[5-[2-(1,3-benzothiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2,4-difluorophenyl)methyl]acetamide
CID 90500873
N-(1,3-benzothiazol-2-ylmethyl)-1-(1,3-thiazol-2-yl)methanamine
CID 61283669
3-[(1,3-benzothiazol-2-ylmethylamino)methyl]phenol
CID 28665440
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methoxy-5-methylphenyl)methanamine
CID 43407746
N-(1,3-benzothiazol-2-ylmethyl)-1-(4,5-dimethylthiophen-2-yl)methanamine
CID 65243812
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
N-(1,3-benzothiazol-2-ylmethyl)-2-bromo-5-fluorobenzamide
CID 18110803
1-(1-benzofuran-2-yl)-N-(1,3-benzothiazol-2-ylmethyl)methanamine
CID 28665559
N-(1,3-benzothiazol-2-ylmethyl)-2-phenylethanamine
CID 28665156

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine (CID 28665051) is N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine is Fc1ccc(CNCc2nc3ccccc3s2)c(F)c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine?
The InChIKey is OCEGNDXRWQBEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2S/c16-11-6-5-10(12(17)7-11)8-18-9-15-19-13-3-1-2-4-14(13)20-15/h1-7,18H,8-9H2.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine has a molecular weight of 290.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-(2,4-difluorophenyl)methanamine is sourced from PubChem (CID 28665051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).