6-(3-methylphenyl)-1,3-benzothiazol-2-amine

C14H12N2S — CID 143885488

IUPAC6-(3-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc(-c2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C14H12N2S/c1-9-3-2-4-10(7-9)11-5-6-12-13(8-11)17-14(15)16-12/h2-8H,1H3,(H2,15,16)
InChIKeyTVMFFTOFJAJWRY-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.85
Rot. Bonds1

About 6-(3-methylphenyl)-1,3-benzothiazol-2-amine

6-(3-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 143885488) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 6-(3-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(3-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID143885488
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name6-(3-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc(-c2ccc3nc(N)sc3c2)c1
InChIInChI=1S/C14H12N2S/c1-9-3-2-4-10(7-9)11-5-6-12-13(8-11)17-14(15)16-12/h2-8H,1H3,(H2,15,16)
InChIKeyTVMFFTOFJAJWRY-UHFFFAOYSA-N
XLogP3.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(methylamino)phenyl]-1,3-benzothiazol-2-amine
CID 116994111
6-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-1,3-benzothiazol-2-amine
CID 65348846
6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122184482
6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine
CID 170567486
N-(2-amino-1,3-benzothiazol-6-yl)-3-methylbenzamide
CID 50882009
6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine
CID 65348347
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
4-methyl-6-(3-methylphenyl)quinazolin-2-amine
CID 118084368
[3-(2-methyl-1,3-benzothiazol-6-yl)phenyl]methanamine
CID 116993973
6-methoxy-2-(3-methylphenyl)-1,3-benzothiazole
CID 25232186
6-(1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine
CID 119087949
6-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-benzothiazol-2-amine
CID 122184471

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(3-methylphenyl)-1,3-benzothiazol-2-amine (CID 143885488) is 6-(3-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(3-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(3-methylphenyl)-1,3-benzothiazol-2-amine is Cc1cccc(-c2ccc3nc(N)sc3c2)c1.
What is the InChIKey of 6-(3-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is TVMFFTOFJAJWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-9-3-2-4-10(7-9)11-5-6-12-13(8-11)17-14(15)16-12/h2-8H,1H3,(H2,15,16).
What are the key properties of 6-(3-methylphenyl)-1,3-benzothiazol-2-amine?
6-(3-methylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 240.33 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 143885488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).