2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid

C10H15N3O3S — CID 61008690

IUPAC2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)Nc1nccs1
InChIInChI=1S/C10H15N3O3S/c1-2-4-13(7-9(15)16)6-8(14)12-10-11-3-5-17-10/h3,5H,2,4,6-7H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyVBWMIEFCVUQNAN-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.88
Rot. Bonds7

About 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid

2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid (PubChem CID 61008690) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid
PubChem CID61008690
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)CC(=O)Nc1nccs1
InChIInChI=1S/C10H15N3O3S/c1-2-4-13(7-9(15)16)6-8(14)12-10-11-3-5-17-10/h3,5H,2,4,6-7H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyVBWMIEFCVUQNAN-UHFFFAOYSA-N
XLogP0.88
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid with MolForge

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 79661188
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258533
2-[ethyl(2-methylprop-2-enyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 86910837
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 47123380
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
2-[benzenesulfonyl(pentyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 4087394
2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 3528665
methyl 2-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 60698118
2-[butyl-(4-fluorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 5179961
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
ethyl 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-prop-2-enylamino]acetate
CID 78977684

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid (CID 61008690) is 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid is CCCN(CC(=O)O)CC(=O)Nc1nccs1.
What is the InChIKey of 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid?
The InChIKey is VBWMIEFCVUQNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-4-13(7-9(15)16)6-8(14)12-10-11-3-5-17-10/h3,5H,2,4,6-7H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid?
2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-propylamino]acetic acid is sourced from PubChem (CID 61008690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).