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

C10H15N3O4S — CID 103156202

IUPAC5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOC(CN)CC(=O)Nc1snc(C)c1C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-5-8(10(15)16)9(18-13-5)12-7(14)3-6(4-11)17-2/h6H,3-4,11H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyBEXAECALRNMGIE-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.45
Rot. Bonds6

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

5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 103156202) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID103156202
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCOC(CN)CC(=O)Nc1snc(C)c1C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-5-8(10(15)16)9(18-13-5)12-7(14)3-6(4-11)17-2/h6H,3-4,11H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyBEXAECALRNMGIE-UHFFFAOYSA-N
XLogP0.45
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(aminomethyl)pentanoylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 81080329
5-(3-aminopropanoylamino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402258
3-methyl-5-(3-methylpentanoylamino)-1,2-thiazole-4-carboxylic acid
CID 114873656
3-methyl-5-[(2-propan-2-yloxyacetyl)amino]-1,2-thiazole-4-carboxylic acid
CID 112602057
3-methyl-5-[[2-(propan-2-ylamino)acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79402493
5-[(3-amino-3-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402261
3-methyl-5-(3-methylbutanoylamino)-1,2-thiazole-4-carboxamide
CID 54757315
5-[(4-amino-2-methylbutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 80545102
5-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60869578
3-methyl-5-[3-(2,2,2-trifluoroethoxy)propanoylamino]-1,2-thiazole-4-carboxylic acid
CID 60870139
5-[[2-(cyclopropylamino)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401944
5-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 104678413

Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid (CID 103156202) is 5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is COC(CN)CC(=O)Nc1snc(C)c1C(=O)O.
What is the InChIKey of 5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is BEXAECALRNMGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-5-8(10(15)16)9(18-13-5)12-7(14)3-6(4-11)17-2/h6H,3-4,11H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid?
5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 273.31 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-3-methoxybutanoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 103156202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).