Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-

C16H16N2S — CID 82450

IUPACN,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
SMILESCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N(C)C
InChIInChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3
InChIKeyOEOPVJYUCSQVMJ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.70
Rot. Bonds2

About Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-

Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)- (PubChem CID 82450) has the molecular formula C16H16N2S and a molecular weight of 268.40 g/mol. Its IUPAC name is N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline.

Molecular Properties

Compound NameBenzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-
PubChem CID82450
Molecular FormulaC16H16N2S
Molecular Weight268.40 g/mol
Exact Mass268.10
IUPAC NameN,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
SMILESCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N(C)C
InChIInChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3
InChIKeyOEOPVJYUCSQVMJ-UHFFFAOYSA-N
XLogP4.70
TPSA44.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity299

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

Dithiazanine Iodide
CID 5702697
2-Methylbenzothiazole
CID 8446
3,3'-Diethylthiacarbocyanine iodide
CID 5709759
2-(p-Dimethylaminostyryl)benzothiazole
CID 5378081
Fostedil
CID 53421
Thioflavin T
CID 16953
2-Amino-6-methylbenzothiazole
CID 17335
2-Benzothiazolyl diethyldithiocarbamate
CID 7229
2-(4-Aminophenyl)benzothiazole
CID 234475
2-(4-Aminophenyl)-6-methylbenzothiazole
CID 7087
N,N-dicyclohexyl-2-benzothiazolesulfenamide
CID 21080
3,3'-Diethylthiatricarbocyanine iodide
CID 5702699

Frequently Asked Questions

What is the IUPAC name of Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-?
The IUPAC name of Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)- (CID 82450) is N,N-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline.
What is the SMILES notation for Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-?
The canonical SMILES for Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)- is CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N(C)C.
What is the InChIKey of Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-?
The InChIKey is OEOPVJYUCSQVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3.
What are the key properties of Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)-?
Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)- has a molecular weight of 268.40 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Benzenamine, N,N-dimethyl-4-(6-methyl-2-benzothiazolyl)- is sourced from PubChem (CID 82450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).