2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide

C21H30N4O2S — CID 78818462

IUPAC2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN(CC)CC(=O)NC(C)C)cs1
InChIInChI=1S/C21H30N4O2S/c1-6-17-10-8-9-11-19(17)25(16(5)26)21-23-18(14-28-21)12-24(7-2)13-20(27)22-15(3)4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,22,27)
InChIKeyCSRKJOWNRAOEOG-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.74
Rot. Bonds9

About 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide

2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide (PubChem CID 78818462) has the molecular formula C21H30N4O2S and a molecular weight of 402.56 g/mol. Its IUPAC name is 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide
PubChem CID78818462
Molecular FormulaC21H30N4O2S
Molecular Weight402.56 g/mol
Exact Mass402.21
IUPAC Name2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN(CC)CC(=O)NC(C)C)cs1
InChIInChI=1S/C21H30N4O2S/c1-6-17-10-8-9-11-19(17)25(16(5)26)21-23-18(14-28-21)12-24(7-2)13-20(27)22-15(3)4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,22,27)
InChIKeyCSRKJOWNRAOEOG-UHFFFAOYSA-N
XLogP3.74
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78817704
N-[4-[(N-ethylanilino)methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822480
2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide
CID 8682990
N-[4-[[1-cyclopropylethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78843645
N-[4-[[cyclopropylmethyl(propyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78822809
N-[4-[[benzyl(1-cyclopropylethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78823715
2-[[2-(N-acetyl-4-methylanilino)-1,3-thiazol-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 47521918
N-[4-[[2-cyanoethyl(furan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78823033
N-[4-[[1-(2-chlorophenyl)ethylamino]methyl]-1,3-thiazol-2-yl]-N-(2-ethylphenyl)acetamide
CID 78733668
2-[ethyl-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]methyl]amino]-N-propan-2-ylacetamide
CID 55411702
N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78817352
N-[2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methylcarbamothioylamino]ethyl]acetamide
CID 8788821

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide (CID 78818462) is 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide is CCc1ccccc1N(C(C)=O)c1nc(CN(CC)CC(=O)NC(C)C)cs1.
What is the InChIKey of 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide?
The InChIKey is CSRKJOWNRAOEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2S/c1-6-17-10-8-9-11-19(17)25(16(5)26)21-23-18(14-28-21)12-24(7-2)13-20(27)22-15(3)4/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,22,27).
What are the key properties of 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide?
2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide has a molecular weight of 402.56 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 78818462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).