5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine

C14H13N3S — CID 59282921

IUPAC5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2ccc3scnc3c2)cn1
InChIInChI=1S/C14H13N3S/c1-17(2)14-6-4-11(8-15-14)10-3-5-13-12(7-10)16-9-18-13/h3-9H,1-2H3
InChIKeyYLOMHCNVQKSFDK-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.42
Rot. Bonds2

About 5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine

5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine (PubChem CID 59282921) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine
PubChem CID59282921
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2ccc3scnc3c2)cn1
InChIInChI=1S/C14H13N3S/c1-17(2)14-6-4-11(8-15-14)10-3-5-13-12(7-10)16-9-18-13/h3-9H,1-2H3
InChIKeyYLOMHCNVQKSFDK-UHFFFAOYSA-N
XLogP3.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Stf-62247
CID 704473
5-(1,3-Benzothiazol-2-yl)pyridin-2-amine
CID 4868360
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394
N-[6-(Pyridin-3-Yl)-1,3-Benzothiazol-2-Yl]acetamide
CID 44481151
3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine
CID 91885439
2-[[3-[4-(Pyridin-2-yl)-1-piperazinyl]propyl]thio]benzothiazole
CID 24949693
(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine
CID 5458748
4-(1,3-Benzothiazol-6-yl)pyridine-2,6-diamine
CID 166636171
(3-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 1092429
5-(1,3-Benzothiazol-2-yl)-3-bromopyridin-2-amine
CID 10542658
3-(Benzo[d]thiazol-2-yl)-5-(4-(methylsulfonyl)phenyl)pyrazin-2-amine
CID 52937665

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine (CID 59282921) is 5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2ccc3scnc3c2)cn1.
What is the InChIKey of 5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine?
The InChIKey is YLOMHCNVQKSFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-17(2)14-6-4-11(8-15-14)10-3-5-13-12(7-10)16-9-18-13/h3-9H,1-2H3.
What are the key properties of 5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine?
5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine has a molecular weight of 255.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-5-yl)-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 59282921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).