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

C17H16ClN3OS — CID 78825100

IUPACN-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1nc2ccccc2s1)c1ccccc1Cl
InChIInChI=1S/C17H16ClN3OS/c1-11(12-6-2-3-7-13(12)18)19-10-16(22)21-17-20-14-8-4-5-9-15(14)23-17/h2-9,11,19H,10H2,1H3,(H,20,21,22)
InChIKeyTVKAMVSYPVNELA-UHFFFAOYSA-N
MW345.86 g/mol
LogP4.24
Rot. Bonds5

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

N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide (PubChem CID 78825100) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
PubChem CID78825100
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide
SMILESCC(NCC(=O)Nc1nc2ccccc2s1)c1ccccc1Cl
InChIInChI=1S/C17H16ClN3OS/c1-11(12-6-2-3-7-13(12)18)19-10-16(22)21-17-20-14-8-4-5-9-15(14)23-17/h2-9,11,19H,10H2,1H3,(H,20,21,22)
InChIKeyTVKAMVSYPVNELA-UHFFFAOYSA-N
XLogP4.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.86
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(tert-butylamino)acetamide
CID 47840976
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-phenylacetamide
CID 32704244
2-[1-(2-chlorophenyl)ethylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16593862
(1S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(2-chlorophenyl)ethanamine
CID 29054834
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9306757
N-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]propanamide
CID 47412721
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9307339
N-benzhydryl-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]acetamide
CID 9306893
2-[1-(2-chlorophenyl)ethylamino]-N-(1-phenylethyl)acetamide
CID 18085942
2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 112801228
5-(1,3-benzothiazol-2-ylamino)-3-methyl-5-oxopentanoic acid
CID 55156366

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide (CID 78825100) is N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide is CC(NCC(=O)Nc1nc2ccccc2s1)c1ccccc1Cl.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide?
The InChIKey is TVKAMVSYPVNELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-11(12-6-2-3-7-13(12)18)19-10-16(22)21-17-20-14-8-4-5-9-15(14)23-17/h2-9,11,19H,10H2,1H3,(H,20,21,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide has a molecular weight of 345.86 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[1-(2-chlorophenyl)ethylamino]acetamide is sourced from PubChem (CID 78825100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).