2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid

C11H16N2O4S2 — CID 60708918

IUPAC2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
SMILESCOCCNC(=O)C(C)Sc1nc(CC(=O)O)cs1
InChIInChI=1S/C11H16N2O4S2/c1-7(10(16)12-3-4-17-2)19-11-13-8(6-18-11)5-9(14)15/h6-7H,3-5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyFBYLGTMMVAYTRX-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.01
Rot. Bonds8

About 2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid

2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid (PubChem CID 60708918) has the molecular formula C11H16N2O4S2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
PubChem CID60708918
Molecular FormulaC11H16N2O4S2
Molecular Weight304.39 g/mol
Exact Mass304.06
IUPAC Name2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
SMILESCOCCNC(=O)C(C)Sc1nc(CC(=O)O)cs1
InChIInChI=1S/C11H16N2O4S2/c1-7(10(16)12-3-4-17-2)19-11-13-8(6-18-11)5-9(14)15/h6-7H,3-5H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyFBYLGTMMVAYTRX-UHFFFAOYSA-N
XLogP1.01
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 60721401
ethyl 2-[2-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8545965
ethyl 2-[2-[1-(methylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 46824865
2-[2-[2-(3-methoxypropoxy)ethylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 103177430
ethyl 2-[2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 3964013
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899938
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16900065
ethyl 2-[2-[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8605844
2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 82952489
(2S)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(2-phenylethyl)propanamide
CID 8936461
(2S)-N-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 9378534
ethyl 2-[2-[(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 7455217

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid (CID 60708918) is 2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid is COCCNC(=O)C(C)Sc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
The InChIKey is FBYLGTMMVAYTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S2/c1-7(10(16)12-3-4-17-2)19-11-13-8(6-18-11)5-9(14)15/h6-7H,3-5H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid?
2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid has a molecular weight of 304.39 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 60708918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).