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

C15H14N2S — CID 12955114

IUPAC6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C15H14N2S/c1-10-3-6-12(7-4-10)16-15-17-13-8-5-11(2)9-14(13)18-15/h3-9H,1-2H3,(H,16,17)
InChIKeyHXNSGWQJNSDPNZ-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.66
Rot. Bonds2

About 6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine

6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine (PubChem CID 12955114) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
PubChem CID12955114
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc(Nc2nc3ccc(C)cc3s2)cc1
InChIInChI=1S/C15H14N2S/c1-10-3-6-12(7-4-10)16-15-17-13-8-5-11(2)9-14(13)18-15/h3-9H,1-2H3,(H,16,17)
InChIKeyHXNSGWQJNSDPNZ-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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Related Compounds

N-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79127962
4-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenesulfonamide
CID 79126584
N-(3,4-dimethoxyphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79128816
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
6-methyl-N-(2,4,5-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 78908955
6-chloro-N-(4-chlorophenyl)-1,3-benzothiazol-2-amine
CID 5044430
6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
1-N-(4,6-dimethylpyrimidin-2-yl)-4-N-(6-ethyl-1,3-benzothiazol-2-yl)benzene-1,4-diamine
CID 108777584
N-(2,5-dibromophenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142921
N-(4-methylphenyl)-5-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 43247454
5-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzonitrile
CID 107926862

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine (CID 12955114) is 6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine is Cc1ccc(Nc2nc3ccc(C)cc3s2)cc1.
What is the InChIKey of 6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine?
The InChIKey is HXNSGWQJNSDPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-10-3-6-12(7-4-10)16-15-17-13-8-5-11(2)9-14(13)18-15/h3-9H,1-2H3,(H,16,17).
What are the key properties of 6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine?
6-methyl-N-(4-methylphenyl)-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 6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 12955114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).