N-benzyl-1,3-benzothiazol-4-amine

C14H12N2S — CID 76848186

IUPACN-benzyl-1,3-benzothiazol-4-amine
SMILESc1ccc(CNc2cccc3scnc23)cc1
InChIInChI=1S/C14H12N2S/c1-2-5-11(6-3-1)9-15-12-7-4-8-13-14(12)16-10-17-13/h1-8,10,15H,9H2
InChIKeyWEHOOUFEYFHLSO-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.91
Rot. Bonds3

About N-benzyl-1,3-benzothiazol-4-amine

N-benzyl-1,3-benzothiazol-4-amine (PubChem CID 76848186) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-benzyl-1,3-benzothiazol-4-amine.

Molecular Properties

Compound NameN-benzyl-1,3-benzothiazol-4-amine
PubChem CID76848186
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC NameN-benzyl-1,3-benzothiazol-4-amine
SMILESc1ccc(CNc2cccc3scnc23)cc1
InChIInChI=1S/C14H12N2S/c1-2-5-11(6-3-1)9-15-12-7-4-8-13-14(12)16-10-17-13/h1-8,10,15H,9H2
InChIKeyWEHOOUFEYFHLSO-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Aminophenyl)benzothiazole
CID 234475
2-Phenyl-benzothiazol-6-ylamine
CID 459117
3-(1,3-Benzothiazol-2-yl)aniline
CID 720999
6EL8B8Q1UH
CID 46207982
2-(4-Amino-phenyl)-benzothiazol-6-ylamine
CID 759407
2-(4'-Methylaminophenyl)benzothiazole
CID 9837643
N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 10422457
2-(3-Amino-phenyl)-benzothiazol-6-ylamine
CID 651082
Benzothiazolium, 3-[(4-fluorophenyl)methyl]-, bromide
CID 2842524
3-Benzylbenzothiazolium
CID 2843089
N-(111C)methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
CID 9881491
2-(4-Fluorophenyl)-1,3-benzothiazol-6-amine
CID 11964482

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-benzothiazol-4-amine?
The IUPAC name of N-benzyl-1,3-benzothiazol-4-amine (CID 76848186) is N-benzyl-1,3-benzothiazol-4-amine.
What is the SMILES notation for N-benzyl-1,3-benzothiazol-4-amine?
The canonical SMILES for N-benzyl-1,3-benzothiazol-4-amine is c1ccc(CNc2cccc3scnc23)cc1.
What is the InChIKey of N-benzyl-1,3-benzothiazol-4-amine?
The InChIKey is WEHOOUFEYFHLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-5-11(6-3-1)9-15-12-7-4-8-13-14(12)16-10-17-13/h1-8,10,15H,9H2.
What are the key properties of N-benzyl-1,3-benzothiazol-4-amine?
N-benzyl-1,3-benzothiazol-4-amine has a molecular weight of 240.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,3-benzothiazol-4-amine is sourced from PubChem (CID 76848186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).