4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole

C14H19N3OS — CID 42476071

IUPAC4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
SMILESCOc1ccc(C)c2sc(N3CCN(C)CC3)nc12
InChIInChI=1S/C14H19N3OS/c1-10-4-5-11(18-3)12-13(10)19-14(15-12)17-8-6-16(2)7-9-17/h4-5H,6-9H2,1-3H3
InChIKeyWINSZHBYXMHTFR-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.37
Rot. Bonds2

About 4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole

4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole (PubChem CID 42476071) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole.

Molecular Properties

Compound Name4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
PubChem CID42476071
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
SMILESCOc1ccc(C)c2sc(N3CCN(C)CC3)nc12
InChIInChI=1S/C14H19N3OS/c1-10-4-5-11(18-3)12-13(10)19-14(15-12)17-8-6-16(2)7-9-17/h4-5H,6-9H2,1-3H3
InChIKeyWINSZHBYXMHTFR-UHFFFAOYSA-N
XLogP2.37
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 3240926
4,7-dichloro-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941721
4-methoxy-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole-7-carboxylic acid
CID 18357003
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
1-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7540233
2-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 16941369
[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 7540163
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 90601975
cyclohexyl-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7292682
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole?
The IUPAC name of 4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole (CID 42476071) is 4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole.
What is the SMILES notation for 4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole?
The canonical SMILES for 4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole is COc1ccc(C)c2sc(N3CCN(C)CC3)nc12.
What is the InChIKey of 4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole?
The InChIKey is WINSZHBYXMHTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10-4-5-11(18-3)12-13(10)19-14(15-12)17-8-6-16(2)7-9-17/h4-5H,6-9H2,1-3H3.
What are the key properties of 4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole?
4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole has a molecular weight of 277.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole is sourced from PubChem (CID 42476071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).