N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide

C22H24ClN3OS — CID 78733668

IUPACN-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CNC(C)c2ccccc2Cl)cs1
InChIInChI=1S/C22H24ClN3OS/c1-4-17-9-5-8-12-21(17)26(16(3)27)22-25-18(14-28-22)13-24-15(2)19-10-6-7-11-20(19)23/h5-12,14-15,24H,4,13H2,1-3H3
InChIKeyDIBODZYSYQBRCQ-UHFFFAOYSA-N
MW413.97 g/mol
LogP5.89
Rot. Bonds7

About N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide

N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 78733668) has the molecular formula C22H24ClN3OS and a molecular weight of 413.97 g/mol. Its IUPAC name is N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
PubChem CID78733668
Molecular FormulaC22H24ClN3OS
Molecular Weight413.97 g/mol
Exact Mass413.13
IUPAC NameN-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CNC(C)c2ccccc2Cl)cs1
InChIInChI=1S/C22H24ClN3OS/c1-4-17-9-5-8-12-21(17)26(16(3)27)22-25-18(14-28-22)13-24-15(2)19-10-6-7-11-20(19)23/h5-12,14-15,24H,4,13H2,1-3H3
InChIKeyDIBODZYSYQBRCQ-UHFFFAOYSA-N
XLogP5.89
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.97
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methylcarbamothioylamino]ethyl]acetamide
CID 8788821
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-[(1S)-1-(4-chlorophenyl)ethyl]azanium
CID 8636274
(1R)-1-(2-chlorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 28781310
N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 8635922
N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822480
N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8636034
[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl 4-propan-2-ylbenzoate
CID 7969107
2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 78818462
(1R)-1-(2-chlorophenyl)-N-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 9306498
N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78817352
N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78843645
N-[4-[(4-benzylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78815351

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide (CID 78733668) is N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1N(C(C)=O)c1nc(CNC(C)c2ccccc2Cl)cs1.
What is the InChIKey of N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is DIBODZYSYQBRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3OS/c1-4-17-9-5-8-12-21(17)26(16(3)27)22-25-18(14-28-22)13-24-15(2)19-10-6-7-11-20(19)23/h5-12,14-15,24H,4,13H2,1-3H3.
What are the key properties of N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide?
N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 413.97 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 78733668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).