N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide

C19H18FN3O2S — CID 46289824

IUPACN-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc2ccc(CC(=O)Nc3ccccc3F)cc2s1
InChIInChI=1S/C19H18FN3O2S/c1-2-5-17(24)23-19-22-15-9-8-12(10-16(15)26-19)11-18(25)21-14-7-4-3-6-13(14)20/h3-4,6-10H,2,5,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyQYSVAMBBRSAQFE-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.36
Rot. Bonds6

About N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide

N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide (PubChem CID 46289824) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
PubChem CID46289824
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc2ccc(CC(=O)Nc3ccccc3F)cc2s1
InChIInChI=1S/C19H18FN3O2S/c1-2-5-17(24)23-19-22-15-9-8-12(10-16(15)26-19)11-18(25)21-14-7-4-3-6-13(14)20/h3-4,6-10H,2,5,11H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyQYSVAMBBRSAQFE-UHFFFAOYSA-N
XLogP4.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-[6-[2-(3-methylanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289861
N-(2-fluorophenyl)butanamide
CID 849021
N-[6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289848
N-[6-[2-oxo-2-[(4-propan-2-yloxyphenyl)methylamino]ethyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289872
N-[6-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289504
2-[2-(propanoylamino)-1,3-benzothiazol-6-yl]acetic acid
CID 29247510
N-[6-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]-1,3-benzothiazol-2-yl]butanamide
CID 46289506
2-(2-acetamido-1,3-benzothiazol-6-yl)-N-benzylacetamide
CID 46289632
N-(4-fluoro-1,3-benzothiazol-2-yl)butanamide
CID 7193256
N-[2-(butanoylamino)-1,3-benzothiazol-5-yl]-2-fluorobenzamide
CID 46328841
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide?
The IUPAC name of N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide (CID 46289824) is N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide.
What is the SMILES notation for N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide?
The canonical SMILES for N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide is CCCC(=O)Nc1nc2ccc(CC(=O)Nc3ccccc3F)cc2s1.
What is the InChIKey of N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide?
The InChIKey is QYSVAMBBRSAQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-2-5-17(24)23-19-22-15-9-8-12(10-16(15)26-19)11-18(25)21-14-7-4-3-6-13(14)20/h3-4,6-10H,2,5,11H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide?
N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide has a molecular weight of 371.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2-fluoroanilino)-2-oxoethyl]-1,3-benzothiazol-2-yl]butanamide is sourced from PubChem (CID 46289824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).