2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid

C16H17N3O4S — CID 39160160

IUPAC2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(CN1CCOCC1)Nc1ccccc1-c1nc(C(=O)O)cs1
InChIInChI=1S/C16H17N3O4S/c20-14(9-19-5-7-23-8-6-19)17-12-4-2-1-3-11(12)15-18-13(10-24-15)16(21)22/h1-4,10H,5-9H2,(H,17,20)(H,21,22)
InChIKeyOUVPZHDUPQHGLF-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.78
Rot. Bonds5

About 2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid

2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 39160160) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is 2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID39160160
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC Name2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(CN1CCOCC1)Nc1ccccc1-c1nc(C(=O)O)cs1
InChIInChI=1S/C16H17N3O4S/c20-14(9-19-5-7-23-8-6-19)17-12-4-2-1-3-11(12)15-18-13(10-24-15)16(21)22/h1-4,10H,5-9H2,(H,17,20)(H,21,22)
InChIKeyOUVPZHDUPQHGLF-UHFFFAOYSA-N
XLogP1.78
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-[3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 17460356
N-(2-benzylsulfanylphenyl)-2-morpholin-4-ylacetamide
CID 9033759
N-(2-morpholin-4-ylethyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 51253349
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
2-morpholin-4-yl-N-(2-oxo-1H-quinolin-3-yl)acetamide
CID 141167893
N-isoquinolin-5-yl-2-morpholin-4-ylacetamide
CID 110483410
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
N-[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]-2-morpholin-4-ylacetamide
CID 9422328
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid (CID 39160160) is 2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid is O=C(CN1CCOCC1)Nc1ccccc1-c1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is OUVPZHDUPQHGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c20-14(9-19-5-7-23-8-6-19)17-12-4-2-1-3-11(12)15-18-13(10-24-15)16(21)22/h1-4,10H,5-9H2,(H,17,20)(H,21,22).
What are the key properties of 2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 347.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-morpholin-4-ylacetyl)amino]phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 39160160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).