N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine

C15H15N3S — CID 171702591

IUPACN,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(N(C)Cc3ccncc3)sc2c1
InChIInChI=1S/C15H15N3S/c1-11-3-4-13-14(9-11)19-15(17-13)18(2)10-12-5-7-16-8-6-12/h3-9H,10H2,1-2H3
InChIKeyDBNJGRIOGLGLKB-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.64
Rot. Bonds3

About N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine

N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 171702591) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID171702591
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC NameN,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(N(C)Cc3ccncc3)sc2c1
InChIInChI=1S/C15H15N3S/c1-11-3-4-13-14(9-11)19-15(17-13)18(2)10-12-5-7-16-8-6-12/h3-9H,10H2,1-2H3
InChIKeyDBNJGRIOGLGLKB-UHFFFAOYSA-N
XLogP3.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine
CID 37144332
2-[methyl-(6-methyl-1,3-benzothiazol-2-yl)amino]acetic acid
CID 56724774
N-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)hydroxylamine
CID 45077125
methyl-(6-methyl-1,3-benzothiazol-2-yl)cyanamide
CID 45077325
N,4-dimethyl-5-(methylaminomethyl)-N-(pyridin-4-ylmethyl)-1,3-thiazol-2-amine
CID 62766787
N-[(3,5-dimethoxyphenyl)methyl]-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 171336258
2-(2,5-dimethylphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 41342782
2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 40508102
N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine
CID 130399393
N-benzyl-4-(dimethylamino)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 41055287
N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 164576885

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine (CID 171702591) is N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine is Cc1ccc2nc(N(C)Cc3ccncc3)sc2c1.
What is the InChIKey of N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is DBNJGRIOGLGLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-11-3-4-13-14(9-11)19-15(17-13)18(2)10-12-5-7-16-8-6-12/h3-9H,10H2,1-2H3.
What are the key properties of N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine?
N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 269.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(pyridin-4-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 171702591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).