4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid

C11H15N3O4S — CID 63240888

IUPAC4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
SMILESCc1csc(CCNC(=O)NC(=O)CCC(=O)O)n1
InChIInChI=1S/C11H15N3O4S/c1-7-6-19-9(13-7)4-5-12-11(18)14-8(15)2-3-10(16)17/h6H,2-5H2,1H3,(H,16,17)(H2,12,14,15,18)
InChIKeyUICUAGBFUZFZRT-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.68
Rot. Bonds6

About 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid

4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 63240888) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
PubChem CID63240888
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
SMILESCc1csc(CCNC(=O)NC(=O)CCC(=O)O)n1
InChIInChI=1S/C11H15N3O4S/c1-7-6-19-9(13-7)4-5-12-11(18)14-8(15)2-3-10(16)17/h6H,2-5H2,1H3,(H,16,17)(H2,12,14,15,18)
InChIKeyUICUAGBFUZFZRT-UHFFFAOYSA-N
XLogP0.68
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 47228479
2-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]acetic acid
CID 82103146
2-[methyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 63240803
2-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 63241165
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
2-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 80540928
1-[(2R)-3-methylbutan-2-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 94151930
2-cyclopropyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]acetic acid
CID 55174649
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
2-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentyl]acetic acid
CID 64699566
2-methoxy-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 114144694

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid (CID 63240888) is 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid is Cc1csc(CCNC(=O)NC(=O)CCC(=O)O)n1.
What is the InChIKey of 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is UICUAGBFUZFZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-7-6-19-9(13-7)4-5-12-11(18)14-8(15)2-3-10(16)17/h6H,2-5H2,1H3,(H,16,17)(H2,12,14,15,18).
What are the key properties of 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid?
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 285.32 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 63240888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).