4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole

C14H12N2S — CID 57387521

IUPAC4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole
SMILESCc1cc(C)c2nc(-c3ccccn3)sc2c1
InChIInChI=1S/C14H12N2S/c1-9-7-10(2)13-12(8-9)17-14(16-13)11-5-3-4-6-15-11/h3-8H,1-2H3
InChIKeyYTNMQCMVGQQIIA-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.98
Rot. Bonds1

About 4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole

4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole (PubChem CID 57387521) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole
PubChem CID57387521
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole
SMILESCc1cc(C)c2nc(-c3ccccn3)sc2c1
InChIInChI=1S/C14H12N2S/c1-9-7-10(2)13-12(8-9)17-14(16-13)11-5-3-4-6-15-11/h3-8H,1-2H3
InChIKeyYTNMQCMVGQQIIA-UHFFFAOYSA-N
XLogP3.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16562643
4,6-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-benzothiazole
CID 121083589
2-pyridin-2-yl-4-(trifluoromethyl)-1,3-benzothiazole
CID 134103115
4,5-dimethyl-2-pyridin-2-yl-1,3-thiazole
CID 58923237
5-bromo-4-methyl-2-pyridin-2-yl-1,3-thiazole
CID 75532062
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylbenzo[e][1,3]benzothiazole
CID 138633592
N-benzyl-4,6-dimethyl-1,3-benzothiazol-2-amine
CID 2376092
4,6-dimethyl-2-(trifluoromethyl)-1,3-benzothiazole
CID 84626504
4-ethyl-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 91387936
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 40519367
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
CID 4307053
2-(3,4-dimethoxyphenyl)-4,6-dimethyl-1,3-benzothiazole
CID 95909841

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole?
The IUPAC name of 4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole (CID 57387521) is 4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole.
What is the SMILES notation for 4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole?
The canonical SMILES for 4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole is Cc1cc(C)c2nc(-c3ccccn3)sc2c1.
What is the InChIKey of 4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole?
The InChIKey is YTNMQCMVGQQIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-9-7-10(2)13-12(8-9)17-14(16-13)11-5-3-4-6-15-11/h3-8H,1-2H3.
What are the key properties of 4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole?
4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole has a molecular weight of 240.33 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-pyridin-2-yl-1,3-benzothiazole is sourced from PubChem (CID 57387521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).