methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate

C10H16N2O4S2 — CID 63830812

IUPACmethyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCCc1cscn1
InChIInChI=1S/C10H16N2O4S2/c1-16-10(13)3-2-6-18(14,15)12-5-4-9-7-17-8-11-9/h7-8,12H,2-6H2,1H3
InChIKeyUBFRXIZJCBVQFZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.56
Rot. Bonds8

About methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate

methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate (PubChem CID 63830812) has the molecular formula C10H16N2O4S2 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate
PubChem CID63830812
Molecular FormulaC10H16N2O4S2
Molecular Weight292.38 g/mol
Exact Mass292.06
IUPAC Namemethyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCCc1cscn1
InChIInChI=1S/C10H16N2O4S2/c1-16-10(13)3-2-6-18(14,15)12-5-4-9-7-17-8-11-9/h7-8,12H,2-6H2,1H3
InChIKeyUBFRXIZJCBVQFZ-UHFFFAOYSA-N
XLogP0.56
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(2-pyridin-2-ylethylsulfamoyl)butanoate
CID 61460319
methyl 4-[2-(1-methylpyrazol-3-yl)ethylsulfamoyl]butanoate
CID 104626602
methyl 4-(2-pyridin-4-ylethylsulfamoyl)butanoate
CID 61460662
1-chloro-N-[2-(1,3-thiazol-4-yl)ethyl]methanesulfonamide
CID 63823637
methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
2-piperazin-1-yl-N-[2-(1,3-thiazol-4-yl)ethyl]ethanesulfonamide
CID 63826102
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
CID 115303566
methyl 4-[3-(propan-2-ylamino)propylsulfamoyl]butanoate
CID 54952218
methyl 6-(2-trimethylsilylethylsulfamoyl)hexanoate
CID 99802832
methyl 4-[2-(2-methoxyethylamino)ethylsulfamoyl]butanoate
CID 83039400
methyl 4-(1,2-oxazol-3-ylmethylsulfamoyl)butanoate
CID 79477880

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate (CID 63830812) is methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NCCc1cscn1.
What is the InChIKey of methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate?
The InChIKey is UBFRXIZJCBVQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S2/c1-16-10(13)3-2-6-18(14,15)12-5-4-9-7-17-8-11-9/h7-8,12H,2-6H2,1H3.
What are the key properties of methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate?
methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate has a molecular weight of 292.38 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(1,3-thiazol-4-yl)ethylsulfamoyl]butanoate is sourced from PubChem (CID 63830812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).