N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine

C15H11N3S2 — CID 164619471

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine
SMILESc1ccc2sc(CNc3ccc4sncc4c3)nc2c1
InChIInChI=1S/C15H11N3S2/c1-2-4-14-12(3-1)18-15(19-14)9-16-11-5-6-13-10(7-11)8-17-20-13/h1-8,16H,9H2
InChIKeyHLDHHBNPVWGXTF-UHFFFAOYSA-N
MW297.41 g/mol
LogP4.52
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine

N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine (PubChem CID 164619471) has the molecular formula C15H11N3S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine
PubChem CID164619471
Molecular FormulaC15H11N3S2
Molecular Weight297.41 g/mol
Exact Mass297.04
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine
SMILESc1ccc2sc(CNc3ccc4sncc4c3)nc2c1
InChIInChI=1S/C15H11N3S2/c1-2-4-14-12(3-1)18-15(19-14)9-16-11-5-6-13-10(7-11)8-17-20-13/h1-8,16H,9H2
InChIKeyHLDHHBNPVWGXTF-UHFFFAOYSA-N
XLogP4.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-chloroaniline
CID 60671297
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dichloroaniline
CID 60671399
N-(1,3-benzothiazol-2-ylmethyl)-4-fluoro-3-methoxyaniline
CID 114839332
N-(1,3-benzothiazol-2-ylmethyl)-4-bromo-3,5-dimethylaniline
CID 107573635
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethoxyaniline
CID 60672849
N-(1,3-benzothiazol-2-ylmethyl)-2-iodoaniline
CID 60678883
4-[(1,3-benzothiazol-2-ylmethylamino)methyl]benzene-1,3-diol
CID 28665229
4-[(5-bromo-1,3-benzothiazol-2-yl)methylamino]phenol
CID 54924105
1-amino-N-(1,3-benzothiazol-2-ylmethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119686687
2-ethyl-1,3-benzothiazole
CID 123878265
N-(1,3-benzothiazol-2-ylmethyl)-2-chloro-4-fluoroaniline
CID 60671832
N-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]aniline
CID 60835722

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine (CID 164619471) is N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine is c1ccc2sc(CNc3ccc4sncc4c3)nc2c1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine?
The InChIKey is HLDHHBNPVWGXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3S2/c1-2-4-14-12(3-1)18-15(19-14)9-16-11-5-6-13-10(7-11)8-17-20-13/h1-8,16H,9H2.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine?
N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine has a molecular weight of 297.41 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1,2-benzothiazol-5-amine is sourced from PubChem (CID 164619471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).