N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine

C15H14N2S — CID 853543

IUPACN-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc(Nc2nc3ccccc3s2)c1C
InChIInChI=1S/C15H14N2S/c1-10-6-5-8-12(11(10)2)16-15-17-13-7-3-4-9-14(13)18-15/h3-9H,1-2H3,(H,16,17)
InChIKeyZCMZHHNZRORCCO-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.66
Rot. Bonds2

About N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine

N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 853543) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine
PubChem CID853543
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1cccc(Nc2nc3ccccc3s2)c1C
InChIInChI=1S/C15H14N2S/c1-10-6-5-8-12(11(10)2)16-15-17-13-7-3-4-9-14(13)18-15/h3-9H,1-2H3,(H,16,17)
InChIKeyZCMZHHNZRORCCO-UHFFFAOYSA-N
XLogP4.66
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine (CID 853543) is N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine is Cc1cccc(Nc2nc3ccccc3s2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is ZCMZHHNZRORCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-10-6-5-8-12(11(10)2)16-15-17-13-7-3-4-9-14(13)18-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine?
N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine has a molecular weight of 254.36 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 853543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).