N-benzyl-1,3-benzothiazol-2-amine

C14H12N2S — CID 617555

IUPACN-benzyl-1,3-benzothiazol-2-amine
SMILESc1ccc(CNc2nc3ccccc3s2)cc1
InChIInChI=1S/C14H12N2S/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,15,16)
InChIKeyWCTMSMWBZPBBIF-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.91
Rot. Bonds3

About N-benzyl-1,3-benzothiazol-2-amine

N-benzyl-1,3-benzothiazol-2-amine (PubChem CID 617555) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-benzyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-1,3-benzothiazol-2-amine
PubChem CID617555
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC NameN-benzyl-1,3-benzothiazol-2-amine
SMILESc1ccc(CNc2nc3ccccc3s2)cc1
InChIInChI=1S/C14H12N2S/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,15,16)
InChIKeyWCTMSMWBZPBBIF-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

N-[[4-(2-aminoethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 62503193
N,6-dibenzyl-1,3-benzothiazol-2-amine
CID 82548710
4-[(1,3-benzothiazol-2-ylamino)methyl]benzonitrile
CID 47267559
N-[[3-(chloromethyl)phenyl]methyl]-1,3-benzothiazol-2-amine
CID 65028278
N-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 142733943
2-(benzylamino)-1,3-benzothiazole-6-carboxylic acid
CID 82549782
N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 42281689
N-[(2-methylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 32680270
N-benzyl-5-methoxy-1,3-benzothiazol-2-amine
CID 7208982
2-(1,3-benzothiazol-2-ylamino)ethanethiol;hydrochloride
CID 44537905
N-benzyl-6-ethylsulfonyl-1,3-benzothiazol-2-amine
CID 82549061
N-benzyl-6-(4-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 102448175

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-benzyl-1,3-benzothiazol-2-amine (CID 617555) is N-benzyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-benzyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-benzyl-1,3-benzothiazol-2-amine is c1ccc(CNc2nc3ccccc3s2)cc1.
What is the InChIKey of N-benzyl-1,3-benzothiazol-2-amine?
The InChIKey is WCTMSMWBZPBBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-6-11(7-3-1)10-15-14-16-12-8-4-5-9-13(12)17-14/h1-9H,10H2,(H,15,16).
What are the key properties of N-benzyl-1,3-benzothiazol-2-amine?
N-benzyl-1,3-benzothiazol-2-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-2-amine is sourced from PubChem (CID 617555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).