N-(4-methylphenyl)-1,3-benzothiazol-2-amine

C14H12N2S — CID 640711

IUPACN-(4-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C14H12N2S/c1-10-6-8-11(9-7-10)15-14-16-12-4-2-3-5-13(12)17-14/h2-9H,1H3,(H,15,16)
InChIKeyBZPQYMXZWLYUEY-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.35
Rot. Bonds2

About N-(4-methylphenyl)-1,3-benzothiazol-2-amine

N-(4-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 640711) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(4-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID640711
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC NameN-(4-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C14H12N2S/c1-10-6-8-11(9-7-10)15-14-16-12-4-2-3-5-13(12)17-14/h2-9H,1H3,(H,15,16)
InChIKeyBZPQYMXZWLYUEY-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzo(d)thiazol-2-amine
CID 8706
2-(p-Dimethylaminostyryl)benzothiazole
CID 5378081
2-Amino-6-methylbenzothiazole
CID 17335
2-(4-Aminophenyl)benzothiazole
CID 234475
2-(4-Aminophenyl)-6-methylbenzothiazole
CID 7087
4-(1,3-Benzothiazol-2-Yl)-2-Methylaniline
CID 384525
Benzthiazuron
CID 16007
4-(1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 95755
2-Phenylbenzothiazole
CID 13439
2-Amino-4-methylbenzothiazole
CID 15132
4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline
CID 396813
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(4-methylphenyl)-1,3-benzothiazol-2-amine (CID 640711) is N-(4-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(4-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(4-methylphenyl)-1,3-benzothiazol-2-amine is Cc1ccc(Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is BZPQYMXZWLYUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-10-6-8-11(9-7-10)15-14-16-12-4-2-3-5-13(12)17-14/h2-9H,1H3,(H,15,16).
What are the key properties of N-(4-methylphenyl)-1,3-benzothiazol-2-amine?
N-(4-methylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 240.33 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 640711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).