2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

C17H15ClFN3OS — CID 112801228

IUPAC2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESCC(NCC(=O)Nc1nc2ccc(F)cc2s1)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClFN3OS/c1-10(11-3-2-4-12(18)7-11)20-9-16(23)22-17-21-14-6-5-13(19)8-15(14)24-17/h2-8,10,20H,9H2,1H3,(H,21,22,23)
InChIKeyXOOFFXPYJKIRHB-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.38
Rot. Bonds5

About 2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 112801228) has the molecular formula C17H15ClFN3OS and a molecular weight of 363.85 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
PubChem CID112801228
Molecular FormulaC17H15ClFN3OS
Molecular Weight363.85 g/mol
Exact Mass363.06
IUPAC Name2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESCC(NCC(=O)Nc1nc2ccc(F)cc2s1)c1cccc(Cl)c1
InChIInChI=1S/C17H15ClFN3OS/c1-10(11-3-2-4-12(18)7-11)20-9-16(23)22-17-21-14-6-5-13(19)8-15(14)24-17/h2-8,10,20H,9H2,1H3,(H,21,22,23)
InChIKeyXOOFFXPYJKIRHB-UHFFFAOYSA-N
XLogP4.38
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 60852655
N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
CID 78825100
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 9330859
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
N-(3-chlorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]acetamide
CID 81347088
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 108806521
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(2,6-diethylphenyl)acetamide
CID 9330816
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 8599467
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9307739
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
ethyl 2-[2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]sulfanylacetate
CID 42982352

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (CID 112801228) is 2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is CC(NCC(=O)Nc1nc2ccc(F)cc2s1)c1cccc(Cl)c1.
What is the InChIKey of 2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XOOFFXPYJKIRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3OS/c1-10(11-3-2-4-12(18)7-11)20-9-16(23)22-17-21-14-6-5-13(19)8-15(14)24-17/h2-8,10,20H,9H2,1H3,(H,21,22,23).
What are the key properties of 2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 363.85 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 112801228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).