2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid

C19H19N3O4S2 — CID 13177627

IUPAC2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid
SMILESNCCO.O=C(O)C(=O)Nc1nc(-c2ccc(Sc3ccccc3)cc2)cs1
InChIInChI=1S/C17H12N2O3S2.C2H7NO/c20-15(16(21)22)19-17-18-14(10-23-17)11-6-8-13(9-7-11)24-12-4-2-1-3-5-12;3-1-2-4/h1-10H,(H,21,22)(H,18,19,20);4H,1-3H2
InChIKeyCANGFTIWIMPAIA-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.92
Rot. Bonds5

About 2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid

2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid (PubChem CID 13177627) has the molecular formula C19H19N3O4S2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid
PubChem CID13177627
Molecular FormulaC19H19N3O4S2
Molecular Weight417.51 g/mol
Exact Mass417.08
IUPAC Name2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid
SMILESNCCO.O=C(O)C(=O)Nc1nc(-c2ccc(Sc3ccccc3)cc2)cs1
InChIInChI=1S/C17H12N2O3S2.C2H7NO/c20-15(16(21)22)19-17-18-14(10-23-17)11-6-8-13(9-7-11)24-12-4-2-1-3-5-12;3-1-2-4/h1-10H,(H,21,22)(H,18,19,20);4H,1-3H2
InChIKeyCANGFTIWIMPAIA-UHFFFAOYSA-N
XLogP2.92
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-aminoethanol;2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 13177617
2-aminoethanol;2-oxo-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]acetic acid
CID 3068159
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
2-(4-chlorophenyl)sulfanyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19203551
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-phenylsulfanylacetamide
CID 26893874
(2S)-2,6-diaminohexanoic acid;2-oxo-2-[[4-(3-phenyl-1,2-oxazol-5-yl)-1,3-thiazol-2-yl]amino]acetic acid
CID 14814748
2-(4-chlorophenyl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 1479323
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 124554451
1-phenyl-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 4274968
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
2,2-dimethyl-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]propanamide
CID 112767499
2-aminoethanol;2-[[4-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazol-2-yl]amino]-2-oxoacetic acid
CID 88623472

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid?
The IUPAC name of 2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid (CID 13177627) is 2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid.
What is the SMILES notation for 2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid?
The canonical SMILES for 2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid is NCCO.O=C(O)C(=O)Nc1nc(-c2ccc(Sc3ccccc3)cc2)cs1.
What is the InChIKey of 2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid?
The InChIKey is CANGFTIWIMPAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3S2.C2H7NO/c20-15(16(21)22)19-17-18-14(10-23-17)11-6-8-13(9-7-11)24-12-4-2-1-3-5-12;3-1-2-4/h1-10H,(H,21,22)(H,18,19,20);4H,1-3H2.
What are the key properties of 2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid?
2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid has a molecular weight of 417.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;2-oxo-2-[[4-(4-phenylsulfanylphenyl)-1,3-thiazol-2-yl]amino]acetic acid is sourced from PubChem (CID 13177627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).