5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

C10H14N2O4S2 — CID 60869578

IUPAC5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOCCSCC(=O)Nc1snc(C)c1C(=O)O
InChIInChI=1S/C10H14N2O4S2/c1-6-8(10(14)15)9(18-12-6)11-7(13)5-17-4-3-16-2/h3-5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyKVENZQVKYBEKCF-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.47
Rot. Bonds7

About 5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 60869578) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID60869578
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOCCSCC(=O)Nc1snc(C)c1C(=O)O
InChIInChI=1S/C10H14N2O4S2/c1-6-8(10(14)15)9(18-12-6)11-7(13)5-17-4-3-16-2/h3-5H2,1-2H3,(H,11,13)(H,14,15)
InChIKeyKVENZQVKYBEKCF-UHFFFAOYSA-N
XLogP1.47
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.47
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

5-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60870321
5-(3-aminopropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402258
3-methyl-5-[(2-propan-2-yloxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
CID 112602057
5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 103156202
5-[(3-amino-3-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402261
3-methyl-5-[[2-(propan-2-ylamino)acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79402493
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-methoxyethylsulfanyl)acetamide
CID 43546877
5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402488
3-methyl-5-[3-(2,2,2-trifluoroethoxy)propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60870139
3-methyl-5-(3-methylpentanoylamino)-1,2-thiazole-4-carboxylic acid
CID 114873656
5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401944
5-(1-methoxybutan-2-ylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79403018

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 60869578) is 5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid is COCCSCC(=O)Nc1snc(C)c1C(=O)O.
What is the InChIKey of 5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is KVENZQVKYBEKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c1-6-8(10(14)15)9(18-12-6)11-7(13)5-17-4-3-16-2/h3-5H2,1-2H3,(H,11,13)(H,14,15).
What are the key properties of 5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 290.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 60869578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).