2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

C18H17FN2O2S — CID 18854016

IUPAC2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C18H17FN2O2S/c1-2-3-10-23-15-7-5-4-6-13(15)17(22)21-18-20-14-9-8-12(19)11-16(14)24-18/h4-9,11H,2-3,10H2,1H3,(H,20,21,22)
InChIKeyFNQUIADKVXCUGC-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.87
Rot. Bonds6

About 2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 18854016) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID18854016
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC Name2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C18H17FN2O2S/c1-2-3-10-23-15-7-5-4-6-13(15)17(22)21-18-20-14-9-8-12(19)11-16(14)24-18/h4-9,11H,2-3,10H2,1H3,(H,20,21,22)
InChIKeyFNQUIADKVXCUGC-UHFFFAOYSA-N
XLogP4.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 7578610
butyl 2-[(2-methoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17127731
N-(6-butoxy-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 19220346
2-(3-aminopropoxy)-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 45267313
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 3536818
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-methoxyanilino)pyridine-3-carboxamide
CID 54612749
N-(6-propoxy-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 19213736
2-[3-(diaminomethylideneamino)propoxy]-N-(6-phenoxy-1,3-benzothiazol-2-yl)benzamide
CID 45272466
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 1346004
N-(1,3-benzothiazol-2-yl)-4-butoxy-3-methoxybenzamide
CID 8882733
N-(6-fluoro-1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 2996365
2-butoxy-N-(thiatriazol-5-yl)benzamide
CID 19114331

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 18854016) is 2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is CCCCOc1ccccc1C(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of 2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is FNQUIADKVXCUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-2-3-10-23-15-7-5-4-6-13(15)17(22)21-18-20-14-9-8-12(19)11-16(14)24-18/h4-9,11H,2-3,10H2,1H3,(H,20,21,22).
What are the key properties of 2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 344.41 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 18854016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).