N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide

C20H21FN2O3S — CID 68988013

IUPACN-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCOCCCCOc1cccc(NC(=O)c2ccc3nc(C)sc3c2)c1F
InChIInChI=1S/C20H21FN2O3S/c1-13-22-15-9-8-14(12-18(15)27-13)20(24)23-16-6-5-7-17(19(16)21)26-11-4-3-10-25-2/h5-9,12H,3-4,10-11H2,1-2H3,(H,23,24)
InChIKeyJJUGDSOQKLTVHM-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.80
Rot. Bonds8

About N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide

N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide (PubChem CID 68988013) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
PubChem CID68988013
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC NameN-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
SMILESCOCCCCOc1cccc(NC(=O)c2ccc3nc(C)sc3c2)c1F
InChIInChI=1S/C20H21FN2O3S/c1-13-22-15-9-8-14(12-18(15)27-13)20(24)23-16-6-5-7-17(19(16)21)26-11-4-3-10-25-2/h5-9,12H,3-4,10-11H2,1-2H3,(H,23,24)
InChIKeyJJUGDSOQKLTVHM-UHFFFAOYSA-N
XLogP4.80
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-fluoro-3-(3-methoxypropoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68987630
N-(2-fluoro-3-hept-5-ynoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986624
N-(2-fluoro-3-hept-2-enoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986218
N-(2-fluoro-3-octoxyphenyl)quinoline-6-carboxamide
CID 143859417
N-(2-fluoro-3-hex-5-enoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68732465
2-methyl-N-(3-oct-7-ynoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 87646423
N-(methoxymethyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68765772
N-(3-fluoro-4-pyridinyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 57412037
N-(2-fluoro-3-pent-3-ynoxyphenyl)-2-methylquinoline-6-carboxamide
CID 68734401
N-(3-hex-3-enoxyphenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 68986039
3-methoxy-4-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26693829
N-(3-bromophenyl)-2-methyl-1,3-benzothiazole-6-carboxamide
CID 126196449

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide (CID 68988013) is N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide is COCCCCOc1cccc(NC(=O)c2ccc3nc(C)sc3c2)c1F.
What is the InChIKey of N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is JJUGDSOQKLTVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-13-22-15-9-8-14(12-18(15)27-13)20(24)23-16-6-5-7-17(19(16)21)26-11-4-3-10-25-2/h5-9,12H,3-4,10-11H2,1-2H3,(H,23,24).
What are the key properties of N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide?
N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 388.46 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-(4-methoxybutoxy)phenyl]-2-methyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 68988013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).