4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid

C15H16N2O3S — CID 43665653

IUPAC4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid
SMILESCc1nc(CC(=O)NCCc2ccc(C(=O)O)cc2)cs1
InChIInChI=1S/C15H16N2O3S/c1-10-17-13(9-21-10)8-14(18)16-7-6-11-2-4-12(5-3-11)15(19)20/h2-5,9H,6-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyNIYOWWPRLWJYMV-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.05
Rot. Bonds6

About 4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid

4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid (PubChem CID 43665653) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid
PubChem CID43665653
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid
SMILESCc1nc(CC(=O)NCCc2ccc(C(=O)O)cc2)cs1
InChIInChI=1S/C15H16N2O3S/c1-10-17-13(9-21-10)8-14(18)16-7-6-11-2-4-12(5-3-11)15(19)20/h2-5,9H,6-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyNIYOWWPRLWJYMV-UHFFFAOYSA-N
XLogP2.05
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methyl-1,3-thiazol-4-yl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 30253728
2-(2-methyl-1,3-thiazol-4-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 30525976
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
2-(4-carbamothioylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106035385
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31593146
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylsulfamoylmethyl]benzoic acid
CID 166178742
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568239
2-[2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2-oxoethyl]benzoic acid
CID 103932658
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114139058
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
CID 45347528
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide;ethane;2-(2-methyl-1,3-thiazol-4-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 143940581

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid (CID 43665653) is 4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid is Cc1nc(CC(=O)NCCc2ccc(C(=O)O)cc2)cs1.
What is the InChIKey of 4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid?
The InChIKey is NIYOWWPRLWJYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-10-17-13(9-21-10)8-14(18)16-7-6-11-2-4-12(5-3-11)15(19)20/h2-5,9H,6-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid?
4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 43665653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).