N,6-dibenzyl-1,3-benzothiazol-2-amine

C21H18N2S — CID 82548710

IUPACN,6-dibenzyl-1,3-benzothiazol-2-amine
SMILESc1ccc(CNc2nc3ccc(Cc4ccccc4)cc3s2)cc1
InChIInChI=1S/C21H18N2S/c1-3-7-16(8-4-1)13-18-11-12-19-20(14-18)24-21(23-19)22-15-17-9-5-2-6-10-17/h1-12,14H,13,15H2,(H,22,23)
InChIKeyFPWKWSFHPMSJCQ-UHFFFAOYSA-N
MW330.46 g/mol
LogP5.50
Rot. Bonds5

About N,6-dibenzyl-1,3-benzothiazol-2-amine

N,6-dibenzyl-1,3-benzothiazol-2-amine (PubChem CID 82548710) has the molecular formula C21H18N2S and a molecular weight of 330.46 g/mol. Its IUPAC name is N,6-dibenzyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN,6-dibenzyl-1,3-benzothiazol-2-amine
PubChem CID82548710
Molecular FormulaC21H18N2S
Molecular Weight330.46 g/mol
Exact Mass330.12
IUPAC NameN,6-dibenzyl-1,3-benzothiazol-2-amine
SMILESc1ccc(CNc2nc3ccc(Cc4ccccc4)cc3s2)cc1
InChIInChI=1S/C21H18N2S/c1-3-7-16(8-4-1)13-18-11-12-19-20(14-18)24-21(23-19)22-15-17-9-5-2-6-10-17/h1-12,14H,13,15H2,(H,22,23)
InChIKeyFPWKWSFHPMSJCQ-UHFFFAOYSA-N
XLogP5.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.46
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-benzyl-N-ethyl-1,3-benzothiazol-2-amine
CID 82548714
N-benzyl-1,3-benzothiazol-2-amine
CID 617555
2-(benzylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82549782
N-benzyl-6-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 102448175
N-benzyl-6-ethylsulfonyl-1,3-benzothiazol-2-amine
CID 82549061
N-[(4-fluorophenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 71628497
N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 142733943
N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 62503193
6-chloro-N-[(4-ethylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 106900344
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
2-N-[(4-chlorophenyl)methyl]-1,3-benzothiazole-2,6-diamine
CID 63231401
6-chloro-N-[(4-fluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 935527

Frequently Asked Questions

What is the IUPAC name of N,6-dibenzyl-1,3-benzothiazol-2-amine?
The IUPAC name of N,6-dibenzyl-1,3-benzothiazol-2-amine (CID 82548710) is N,6-dibenzyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N,6-dibenzyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N,6-dibenzyl-1,3-benzothiazol-2-amine is c1ccc(CNc2nc3ccc(Cc4ccccc4)cc3s2)cc1.
What is the InChIKey of N,6-dibenzyl-1,3-benzothiazol-2-amine?
The InChIKey is FPWKWSFHPMSJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2S/c1-3-7-16(8-4-1)13-18-11-12-19-20(14-18)24-21(23-19)22-15-17-9-5-2-6-10-17/h1-12,14H,13,15H2,(H,22,23).
What are the key properties of N,6-dibenzyl-1,3-benzothiazol-2-amine?
N,6-dibenzyl-1,3-benzothiazol-2-amine has a molecular weight of 330.46 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dibenzyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).