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

C14H13N3S — CID 1488406

IUPAC3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1-c1nc2ccccc2s1
InChIInChI=1S/C14H13N3S/c1-17(2)13-10(6-5-9-15-13)14-16-11-7-3-4-8-12(11)18-14/h3-9H,1-2H3
InChIKeyHTPGHMDKMWXALJ-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.42
Rot. Bonds2

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

3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine (PubChem CID 1488406) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine
PubChem CID1488406
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1-c1nc2ccccc2s1
InChIInChI=1S/C14H13N3S/c1-17(2)13-10(6-5-9-15-13)14-16-11-7-3-4-8-12(11)18-14/h3-9H,1-2H3
InChIKeyHTPGHMDKMWXALJ-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

2-(2-Pyridinyl)benzothiazole
CID 12856
5-(1,3-Benzothiazol-2-yl)pyridin-2-amine
CID 4868360
2-(4-Benzylpiperazin-1-yl)-1,3-benzothiazole
CID 1484933
N-[(E)-pyridin-2-ylmethylideneamino]-1,3-benzothiazol-2-amine
CID 9566818
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
8-Thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 25190908
S-21007
CID 9863146
2-[[3-[4-(Pyridin-2-yl)-1-piperazinyl]propyl]thio]benzothiazole
CID 24949693
5-methyl-N-[4-(2-thienyl)-1,3-thiazol-2-yl]-2-pyridinamine
CID 972421
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
4-(Benzo[d]thiazol-2-yl)-1-benzylpyridin-1-ium bromide
CID 44660009

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine (CID 1488406) is 3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine is CN(C)c1ncccc1-c1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine?
The InChIKey is HTPGHMDKMWXALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-17(2)13-10(6-5-9-15-13)14-16-11-7-3-4-8-12(11)18-14/h3-9H,1-2H3.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine?
3-(1,3-benzothiazol-2-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 3-(1,3-benzothiazol-2-yl)-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 1488406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).