2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid

C16H19N3O4S — CID 39160138

IUPAC2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCCN(CCO)CC(=O)Nc1cccc(-c2nc(C(=O)O)cs2)c1
InChIInChI=1S/C16H19N3O4S/c1-2-19(6-7-20)9-14(21)17-12-5-3-4-11(8-12)15-18-13(10-24-15)16(22)23/h3-5,8,10,20H,2,6-7,9H2,1H3,(H,17,21)(H,22,23)
InChIKeyLTBBLMHBWMBNGR-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.76
Rot. Bonds8

About 2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid

2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 39160138) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID39160138
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCCN(CCO)CC(=O)Nc1cccc(-c2nc(C(=O)O)cs2)c1
InChIInChI=1S/C16H19N3O4S/c1-2-19(6-7-20)9-14(21)17-12-5-3-4-11(8-12)15-18-13(10-24-15)16(22)23/h3-5,8,10,20H,2,6-7,9H2,1H3,(H,17,21)(H,22,23)
InChIKeyLTBBLMHBWMBNGR-UHFFFAOYSA-N
XLogP1.76
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[3-[2-(diethylamino)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22686120
2-[butyl(ethyl)amino]-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 34603207
2-[ethyl(2-hydroxyethyl)amino]-N-(3-phenoxyphenyl)acetamide
CID 110881180
N-[3-(aminomethyl)phenyl]-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 54879755
2-[2-(3-acetamidophenyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 175212165
2-(3-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140162
2-[ethyl(2-hydroxyethyl)amino]-N-(2-phenylphenyl)acetamide
CID 31993666
N-(3-acetylphenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686695
3-[ethyl-[2-(3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 61009921
2-[ethyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 31993110
2-[benzyl(2-hydroxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 78822615
2-[[2-[[ethyl(2-hydroxyethyl)amino]methyl]phenyl]methyl]-1,3-thiazole-4-carboxylic acid
CID 94722810

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid (CID 39160138) is 2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid is CCN(CCO)CC(=O)Nc1cccc(-c2nc(C(=O)O)cs2)c1.
What is the InChIKey of 2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LTBBLMHBWMBNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-2-19(6-7-20)9-14(21)17-12-5-3-4-11(8-12)15-18-13(10-24-15)16(22)23/h3-5,8,10,20H,2,6-7,9H2,1H3,(H,17,21)(H,22,23).
What are the key properties of 2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid?
2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 349.41 g/mol, XLogP of 1.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 39160138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).