methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate

C11H16N2O4S — CID 55756724

IUPACmethyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOCCCC(=O)Nc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C11H16N2O4S/c1-7-9(10(15)17-3)18-11(12-7)13-8(14)5-4-6-16-2/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyQCZCNMNIYZQHFI-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.60
Rot. Bonds6

About methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 55756724) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID55756724
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
SMILESCOCCCC(=O)Nc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C11H16N2O4S/c1-7-9(10(15)17-3)18-11(12-7)13-8(14)5-4-6-16-2/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyQCZCNMNIYZQHFI-UHFFFAOYSA-N
XLogP1.60
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
methyl 4-methyl-2-(octanoylamino)-1,3-thiazole-5-carboxylate
CID 3466631
methyl 2-[(4-methoxy-4-oxobutanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108808756
methyl 4-methyl-2-(4-phenylbutanoylamino)-1,3-thiazole-5-carboxylate
CID 17218045
methyl 2-[(3-amino-3-sulfanylidenepropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 82154875
ethyl 2-(heptanoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 4072445
methyl 2-[3-(4-chlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 108802948
5-[(4-methyl-5-propan-2-yloxycarbonyl-1,3-thiazol-2-yl)amino]-5-oxopentanoic acid
CID 110442608
methyl 4-methyl-2-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1,3-thiazole-5-carboxylate
CID 108807732
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3582528
methyl 2-[[2-(4-butylphenyl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60594501
methyl 2-[[2-[(5-methoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]benzoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 3601092

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate (CID 55756724) is methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate is COCCCC(=O)Nc1nc(C)c(C(=O)OC)s1.
What is the InChIKey of methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is QCZCNMNIYZQHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7-9(10(15)17-3)18-11(12-7)13-8(14)5-4-6-16-2/h4-6H2,1-3H3,(H,12,13,14).
What are the key properties of methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxybutanoylamino)-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 55756724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).