4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole

C13H16N2OS — CID 3240926

IUPAC4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
SMILESCOc1ccc(C)c2sc(N3CCCC3)nc12
InChIInChI=1S/C13H16N2OS/c1-9-5-6-10(16-2)11-12(9)17-13(14-11)15-7-3-4-8-15/h5-6H,3-4,7-8H2,1-2H3
InChIKeyZDHPJLYJDBVCEX-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.21
Rot. Bonds2

About 4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole

4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole (PubChem CID 3240926) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
PubChem CID3240926
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
SMILESCOc1ccc(C)c2sc(N3CCCC3)nc12
InChIInChI=1S/C13H16N2OS/c1-9-5-6-10(16-2)11-12(9)17-13(14-11)15-7-3-4-8-15/h5-6H,3-4,7-8H2,1-2H3
InChIKeyZDHPJLYJDBVCEX-UHFFFAOYSA-N
XLogP3.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
CID 42476071
4,7-dichloro-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941721
cyclohexyl-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7292682
2-[4-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 16941737
1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 7540194
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 90601975
2-[4-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4,6-dimethyl-1,3-benzothiazole
CID 16941703
2-[3-(difluoromethyl)azetidin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 171326887
1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7540233
[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7540163
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 16941369
N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 44897463

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole?
The IUPAC name of 4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole (CID 3240926) is 4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole.
What is the SMILES notation for 4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole?
The canonical SMILES for 4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole is COc1ccc(C)c2sc(N3CCCC3)nc12.
What is the InChIKey of 4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole?
The InChIKey is ZDHPJLYJDBVCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-5-6-10(16-2)11-12(9)17-13(14-11)15-7-3-4-8-15/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole?
4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole has a molecular weight of 248.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole is sourced from PubChem (CID 3240926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).