N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline

C15H14N2S — CID 10422457

IUPACN-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
SMILESCNc1ccc(-c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C15H14N2S/c1-10-3-8-13-14(9-10)18-15(17-13)11-4-6-12(16-2)7-5-11/h3-9,16H,1-2H3
InChIKeyGGFYWXBSNMOKOK-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.31
Rot. Bonds2

About N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline

N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline (PubChem CID 10422457) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline.

Molecular Properties

Compound NameN-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
PubChem CID10422457
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC NameN-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
SMILESCNc1ccc(-c2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C15H14N2S/c1-10-3-8-13-14(9-10)18-15(17-13)11-4-6-12(16-2)7-5-11/h3-9,16H,1-2H3
InChIKeyGGFYWXBSNMOKOK-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline?
The IUPAC name of N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline (CID 10422457) is N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline.
What is the SMILES notation for N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline?
The canonical SMILES for N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline is CNc1ccc(-c2nc3ccc(C)cc3s2)cc1.
What is the InChIKey of N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline?
The InChIKey is GGFYWXBSNMOKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-10-3-8-13-14(9-10)18-15(17-13)11-4-6-12(16-2)7-5-11/h3-9,16H,1-2H3.
What are the key properties of N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline?
N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline has a molecular weight of 254.36 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline is sourced from PubChem (CID 10422457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).