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

C14H14N2OS — CID 893954

IUPAC2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(-n3c(C)ccc3C)sc2c1
InChIInChI=1S/C14H14N2OS/c1-9-4-5-10(2)16(9)14-15-12-7-6-11(17-3)8-13(12)18-14/h4-8H,1-3H3
InChIKeyYJVKSPHVZKQVPL-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.71
Rot. Bonds2

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

2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole (PubChem CID 893954) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole
PubChem CID893954
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole
SMILESCOc1ccc2nc(-n3c(C)ccc3C)sc2c1
InChIInChI=1S/C14H14N2OS/c1-9-4-5-10(2)16(9)14-15-12-7-6-11(17-3)8-13(12)18-14/h4-8H,1-3H3
InChIKeyYJVKSPHVZKQVPL-UHFFFAOYSA-N
XLogP3.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Riluzole
CID 5070
Diamthazole
CID 8708
2-Amino-6-methoxybenzothiazole
CID 15630
Frentizole
CID 33334
Tioxidazole
CID 72157
N-(1-(4-(4-fluorophenoxy)butyl)-4-piperidinyl)-N-methyl-2-benzothiazolamine
CID 108043
Amino-6-ethoxybenzothiazole, 2-
CID 7192
1-(1,3-Benzothiazol-2-yl)-3-(4-methoxyphenyl)urea
CID 950701
N-(6-methoxybenzo[d]thiazol-2-yl)acetamide
CID 2306705
N-(2-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 234669
6-Phenoxybenzo[d]thiazol-2-amine
CID 2344996
6-Methoxy-2-methylbenzothiazole
CID 76254

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole?
The IUPAC name of 2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole (CID 893954) is 2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole.
What is the SMILES notation for 2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole?
The canonical SMILES for 2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole is COc1ccc2nc(-n3c(C)ccc3C)sc2c1.
What is the InChIKey of 2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole?
The InChIKey is YJVKSPHVZKQVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-9-4-5-10(2)16(9)14-15-12-7-6-11(17-3)8-13(12)18-14/h4-8H,1-3H3.
What are the key properties of 2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole?
2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole has a molecular weight of 258.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrol-1-yl)-6-methoxy-1,3-benzothiazole is sourced from PubChem (CID 893954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).