6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine

C14H12BrN3S — CID 171329025

IUPAC6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCN(Cc1ccccn1)c1nc2ccc(Br)cc2s1
InChIInChI=1S/C14H12BrN3S/c1-18(9-11-4-2-3-7-16-11)14-17-12-6-5-10(15)8-13(12)19-14/h2-8H,9H2,1H3
InChIKeyFBJQTAOYJBXZBI-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.09
Rot. Bonds3

About 6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine

6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine (PubChem CID 171329025) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
PubChem CID171329025
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine
SMILESCN(Cc1ccccn1)c1nc2ccc(Br)cc2s1
InChIInChI=1S/C14H12BrN3S/c1-18(9-11-4-2-3-7-16-11)14-17-12-6-5-10(15)8-13(12)19-14/h2-8H,9H2,1H3
InChIKeyFBJQTAOYJBXZBI-UHFFFAOYSA-N
XLogP4.09
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)naphthalene-2-carboxamide
CID 41056101
N-(6-bromo-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 16952550
N-(6-bromo-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43987145
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 41056072
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 43986023
N-(6-bromo-1,3-benzothiazol-2-yl)-2,6-dimethoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 43987163
5-bromo-2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986481
4-bromo-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055745
2-(benzotriazol-1-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987159
5-bromo-2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986482
N-(1,3-benzothiazol-2-yl)-4-bromo-N-(pyridin-2-ylmethyl)benzamide
CID 41004756
4-bromo-2-(bromomethyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 114061506

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine (CID 171329025) is 6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine is CN(Cc1ccccn1)c1nc2ccc(Br)cc2s1.
What is the InChIKey of 6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine?
The InChIKey is FBJQTAOYJBXZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-18(9-11-4-2-3-7-16-11)14-17-12-6-5-10(15)8-13(12)19-14/h2-8H,9H2,1H3.
What are the key properties of 6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine?
6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine has a molecular weight of 334.24 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-(pyridin-2-ylmethyl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 171329025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).