2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide

C20H28N4O2S — CID 8682990

IUPAC2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1
InChIInChI=1S/C20H28N4O2S/c1-6-21-19(26)12-23(7-2)11-17-13-27-20(22-17)24(16(5)25)18-10-8-9-14(3)15(18)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,21,26)
InChIKeyQIQBOVUBNNDYQP-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.40
Rot. Bonds8

About 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide

2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide (PubChem CID 8682990) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide
PubChem CID8682990
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1
InChIInChI=1S/C20H28N4O2S/c1-6-21-19(26)12-23(7-2)11-17-13-27-20(22-17)24(16(5)25)18-10-8-9-14(3)15(18)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,21,26)
InChIKeyQIQBOVUBNNDYQP-UHFFFAOYSA-N
XLogP3.40
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(N-acetyl-2-ethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-propan-2-ylacetamide
CID 78818462
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 54986992
N-(2,3-dimethylphenyl)-N-[4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 52728155
[2-(N-acetyl-2,6-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 8682895
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 2-amino-3-methylbenzoate
CID 55562461
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl (Z)-2-methylpent-2-enoate
CID 56511208
N-ethyl-2-[ethyl-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 51223958
N-[4-[(2,6-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 24684744
N-[4-[[ethyl-[(2-methylphenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
CID 47524086
[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl 3-acetamidobenzoate
CID 55315666
N-[4-[[[(1R)-1-(4-chlorophenyl)ethyl]amino]methyl]-1,3-thiazol-2-yl]-N-(2,3-dimethylphenyl)acetamide
CID 8635922
N-ethyl-2-[ethyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 8683972

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide (CID 8682990) is 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1csc(N(C(C)=O)c2cccc(C)c2C)n1.
What is the InChIKey of 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide?
The InChIKey is QIQBOVUBNNDYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-6-21-19(26)12-23(7-2)11-17-13-27-20(22-17)24(16(5)25)18-10-8-9-14(3)15(18)4/h8-10,13H,6-7,11-12H2,1-5H3,(H,21,26).
What are the key properties of 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide?
2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide has a molecular weight of 388.54 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]methyl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 8682990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).