6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine

C22H21FN2O4S — CID 142711940

IUPAC6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc(OC)c2c(OC)c(CNc3nc4ccc(F)cc4s3)cc(OC)c12
InChIInChI=1S/C22H21FN2O4S/c1-26-15-7-8-16(27-2)20-19(15)17(28-3)9-12(21(20)29-4)11-24-22-25-14-6-5-13(23)10-18(14)30-22/h5-10H,11H2,1-4H3,(H,24,25)
InChIKeyHYXGBHUUUDOKTM-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.24
Rot. Bonds7

About 6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine

6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine (PubChem CID 142711940) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is 6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine
PubChem CID142711940
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC Name6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine
SMILESCOc1ccc(OC)c2c(OC)c(CNc3nc4ccc(F)cc4s3)cc(OC)c12
InChIInChI=1S/C22H21FN2O4S/c1-26-15-7-8-16(27-2)20-19(15)17(28-3)9-12(21(20)29-4)11-24-22-25-14-6-5-13(23)10-18(14)30-22/h5-10H,11H2,1-4H3,(H,24,25)
InChIKeyHYXGBHUUUDOKTM-UHFFFAOYSA-N
XLogP5.24
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine 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

6-fluoro-N-[(3-methoxyphenyl)methyl]-1,3-benzothiazol-2-amine
CID 79143476
N-[(2-methoxyphenyl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142914
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-2-amine
CID 79144140
6-fluoro-N-(thiophen-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 79144448
6-fluoro-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;hydrobromide
CID 18460630
6-fluoro-N-(7-methyloctyl)-1,3-benzothiazol-2-amine
CID 107817006
5-fluoro-N-[2-(2-methoxyphenyl)ethyl]-1,3-benzothiazol-2-amine
CID 106262047
6-fluoro-N-(1,2-oxazol-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 81177516
6-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-benzothiazol-2-amine
CID 79143723
6-bromo-N-[(2,4-difluorophenyl)methyl]-1,3-benzothiazol-2-amine
CID 79527745
N-(6-fluoro-1,3-benzothiazol-2-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79144623
N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 3764092

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine (CID 142711940) is 6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine is COc1ccc(OC)c2c(OC)c(CNc3nc4ccc(F)cc4s3)cc(OC)c12.
What is the InChIKey of 6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine?
The InChIKey is HYXGBHUUUDOKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-26-15-7-8-16(27-2)20-19(15)17(28-3)9-12(21(20)29-4)11-24-22-25-14-6-5-13(23)10-18(14)30-22/h5-10H,11H2,1-4H3,(H,24,25).
What are the key properties of 6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine?
6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine has a molecular weight of 428.49 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(1,4,5,8-tetramethoxynaphthalen-2-yl)methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 142711940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).