2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole

C19H21FN4OS — CID 163357036

IUPAC2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
SMILESCOc1ccc(C)c2sc(N3CCN(Cc4ccncc4F)CC3)nc12
InChIInChI=1S/C19H21FN4OS/c1-13-3-4-16(25-2)17-18(13)26-19(22-17)24-9-7-23(8-10-24)12-14-5-6-21-11-15(14)20/h3-6,11H,7-10,12H2,1-2H3
InChIKeyMCFWJAFTZMTGCO-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.47
Rot. Bonds4

About 2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole

2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole (PubChem CID 163357036) has the molecular formula C19H21FN4OS and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
PubChem CID163357036
Molecular FormulaC19H21FN4OS
Molecular Weight372.47 g/mol
Exact Mass372.14
IUPAC Name2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
SMILESCOc1ccc(C)c2sc(N3CCN(Cc4ccncc4F)CC3)nc12
InChIInChI=1S/C19H21FN4OS/c1-13-3-4-16(25-2)17-18(13)26-19(22-17)24-9-7-23(8-10-24)12-14-5-6-21-11-15(14)20/h3-6,11H,7-10,12H2,1-2H3
InChIKeyMCFWJAFTZMTGCO-UHFFFAOYSA-N
XLogP3.47
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole
CID 90601975
4,7-dimethyl-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-1,3-benzothiazole
CID 163352758
4-methoxy-7-methyl-2-(4-methylpiperazin-1-yl)-1,3-benzothiazole
CID 42476071
4-methoxy-7-methyl-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 3240926
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4,7-dimethoxy-1,3-benzothiazole
CID 90601970
4,7-dichloro-2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-1,3-benzothiazole
CID 16941721
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
N-[2-[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 44897463
1-ethyl-4-[(3-fluoro-4-pyridinyl)methyl]piperazine
CID 126759788

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole?
The IUPAC name of 2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole (CID 163357036) is 2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole.
What is the SMILES notation for 2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole?
The canonical SMILES for 2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole is COc1ccc(C)c2sc(N3CCN(Cc4ccncc4F)CC3)nc12.
What is the InChIKey of 2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole?
The InChIKey is MCFWJAFTZMTGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS/c1-13-3-4-16(25-2)17-18(13)26-19(22-17)24-9-7-23(8-10-24)12-14-5-6-21-11-15(14)20/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of 2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole?
2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole has a molecular weight of 372.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluoro-4-pyridinyl)methyl]piperazin-1-yl]-4-methoxy-7-methyl-1,3-benzothiazole is sourced from PubChem (CID 163357036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).