2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine

C17H18N2S — CID 155931684

IUPAC2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine
SMILESCc1ccc(C)c(-c2nc3cc(N(C)C)ccc3s2)c1
InChIInChI=1S/C17H18N2S/c1-11-5-6-12(2)14(9-11)17-18-15-10-13(19(3)4)7-8-16(15)20-17/h5-10H,1-4H3
InChIKeyMMUVMPISPFGCFF-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.65
Rot. Bonds2

About 2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine

2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine (PubChem CID 155931684) has the molecular formula C17H18N2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine
PubChem CID155931684
Molecular FormulaC17H18N2S
Molecular Weight282.41 g/mol
Exact Mass282.12
IUPAC Name2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine
SMILESCc1ccc(C)c(-c2nc3cc(N(C)C)ccc3s2)c1
InChIInChI=1S/C17H18N2S/c1-11-5-6-12(2)14(9-11)17-18-15-10-13(19(3)4)7-8-16(15)20-17/h5-10H,1-4H3
InChIKeyMMUVMPISPFGCFF-UHFFFAOYSA-N
XLogP4.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
N,N,2-trimethyl-4-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 90144970
3-methyl-4-(5-methyl-1,3-benzothiazol-2-yl)phenol
CID 136750938
3,4-dimethyl-5-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 63021388
N,N-dimethyl-2-methylsulfanyl-1,3-benzothiazol-5-amine
CID 119083600
2-(2-bromophenyl)-5-methyl-1,3-benzothiazole
CID 174756621
N,N-dimethyl-4-[2-(5-methyl-1,3-benzothiazol-2-yl)ethenyl]aniline
CID 54266066
4-methyl-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]aniline
CID 43247361
5-chloro-2-(5-methyl-1,3-benzothiazol-2-yl)aniline
CID 43305050
3-(5-methyl-1,3-benzothiazol-2-yl)naphthalen-2-amine
CID 43305013
4-(5-chloro-1,3-benzothiazol-2-yl)-N,N-dimethylaniline
CID 58828192
2-(aminomethyl)-N,N-dimethyl-1,3-benzothiazol-5-amine;hydrochloride
CID 175848519

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine?
The IUPAC name of 2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine (CID 155931684) is 2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine is Cc1ccc(C)c(-c2nc3cc(N(C)C)ccc3s2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine?
The InChIKey is MMUVMPISPFGCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S/c1-11-5-6-12(2)14(9-11)17-18-15-10-13(19(3)4)7-8-16(15)20-17/h5-10H,1-4H3.
What are the key properties of 2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine?
2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine has a molecular weight of 282.41 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N,N-dimethyl-1,3-benzothiazol-5-amine is sourced from PubChem (CID 155931684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).