2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole

C14H14N2S — CID 774195

IUPAC2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-n3c(C)ccc3C)sc2c1
InChIInChI=1S/C14H14N2S/c1-9-4-7-12-13(8-9)17-14(15-12)16-10(2)5-6-11(16)3/h4-8H,1-3H3
InChIKeyPIFQZEDHIXZXLF-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.01
Rot. Bonds1

About 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole

2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole (PubChem CID 774195) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole
PubChem CID774195
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole
SMILESCc1ccc2nc(-n3c(C)ccc3C)sc2c1
InChIInChI=1S/C14H14N2S/c1-9-4-7-12-13(8-9)17-14(15-12)16-10(2)5-6-11(16)3/h4-8H,1-3H3
InChIKeyPIFQZEDHIXZXLF-UHFFFAOYSA-N
XLogP4.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-methyl-1,3-benzothiazole
CID 23270279
2-indol-1-yl-6-methyl-1,3-benzothiazole
CID 15048330
2-chloro-6-methyl-1,3-benzothiazole
CID 2049866
2-iodo-6-methyl-1,3-benzothiazole
CID 90078540
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-3-ol
CID 154580774
1-(6-methyl-1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde
CID 3784448
6-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)-1,3-benzothiazole
CID 171702282
4-(bromomethyl)-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidin-2-one
CID 168504449
2-ethyl-6-methyl-1,3-benzothiazole
CID 22899424
2-(3,5-diphenylpyrazol-1-yl)-6-methyl-1,3-benzothiazole
CID 86163173
5-chloro-4-methyl-2-[4-(6-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941639
(1S,2S,6R,7R)-4-(6-methyl-1,3-benzothiazol-2-yl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 168973697

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole (CID 774195) is 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole is Cc1ccc2nc(-n3c(C)ccc3C)sc2c1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole?
The InChIKey is PIFQZEDHIXZXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-9-4-7-12-13(8-9)17-14(15-12)16-10(2)5-6-11(16)3/h4-8H,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole?
2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole has a molecular weight of 242.35 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-6-methyl-1,3-benzothiazole is sourced from PubChem (CID 774195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).