2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide

C17H20Cl2N4O2S — CID 78826629

IUPAC2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C17H20Cl2N4O2S/c1-3-20-15(24)8-23(4-2)9-16(25)22-17-21-14(10-26-17)12-6-5-11(18)7-13(12)19/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyHEXNRGPWWXTHPK-UHFFFAOYSA-N
MW415.35 g/mol
LogP3.51
Rot. Bonds8

About 2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide

2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide (PubChem CID 78826629) has the molecular formula C17H20Cl2N4O2S and a molecular weight of 415.35 g/mol. Its IUPAC name is 2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
PubChem CID78826629
Molecular FormulaC17H20Cl2N4O2S
Molecular Weight415.35 g/mol
Exact Mass414.07
IUPAC Name2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C17H20Cl2N4O2S/c1-3-20-15(24)8-23(4-2)9-16(25)22-17-21-14(10-26-17)12-6-5-11(18)7-13(12)19/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyHEXNRGPWWXTHPK-UHFFFAOYSA-N
XLogP3.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide with MolForge

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Related Compounds

2-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1290422
3-(4-chlorophenyl)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 19220952
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587054
2,2,2-trichloro-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4674763
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methylbut-2-enamide
CID 19181152
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 22197983
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(2,4,5-trichlorophenyl)sulfanylacetamide
CID 3822119
2-(4-acetylphenoxy)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 26117136
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]pentanamide
CID 2372983
3-(4-chlorophenyl)sulfonyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 41151631
2-(3-chlorophenyl)sulfanyl-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 5152633
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 16911472

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide (CID 78826629) is 2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)CC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of 2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
The InChIKey is HEXNRGPWWXTHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O2S/c1-3-20-15(24)8-23(4-2)9-16(25)22-17-21-14(10-26-17)12-6-5-11(18)7-13(12)19/h5-7,10H,3-4,8-9H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of 2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide?
2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide has a molecular weight of 415.35 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 78826629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).