methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate

C11H18N2O4S2 — CID 112697354

IUPACmethyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)c1ncc(C)s1
InChIInChI=1S/C11H18N2O4S2/c1-8-7-12-11(18-8)9(2)13-19(15,16)6-4-5-10(14)17-3/h7,9,13H,4-6H2,1-3H3
InChIKeyZCOUBWVKFUYIQY-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.39
Rot. Bonds7

About methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate

methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate (PubChem CID 112697354) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate
PubChem CID112697354
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Namemethyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NC(C)c1ncc(C)s1
InChIInChI=1S/C11H18N2O4S2/c1-8-7-12-11(18-8)9(2)13-19(15,16)6-4-5-10(14)17-3/h7,9,13H,4-6H2,1-3H3
InChIKeyZCOUBWVKFUYIQY-UHFFFAOYSA-N
XLogP1.39
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[1-(5-methyl-1,3-thiazol-2-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

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 115681436
methyl 4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]butanoate
CID 103943303
methyl 4-[[(1S)-1-(4-fluorophenyl)ethyl]sulfamoyl]butanoate
CID 81350625
methyl 4-[[(1R)-1-(4-methoxyphenyl)ethyl]sulfamoyl]butanoate
CID 81353565
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 103263524
4-chloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 82110975
ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate
CID 103263521
4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115681422
methyl 4-[(1-amino-1-oxopropan-2-yl)sulfamoyl]butanoate
CID 61460199
4-[1-(2,5-dimethylthiophen-3-yl)ethylsulfamoyl]butanoic acid
CID 43697794
methyl (E)-2-methyl-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate
CID 104579967
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 113251866

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate?
The IUPAC name of methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate (CID 112697354) is methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate?
The canonical SMILES for methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NC(C)c1ncc(C)s1.
What is the InChIKey of methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate?
The InChIKey is ZCOUBWVKFUYIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-8-7-12-11(18-8)9(2)13-19(15,16)6-4-5-10(14)17-3/h7,9,13H,4-6H2,1-3H3.
What are the key properties of methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate?
methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate has a molecular weight of 306.41 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate is sourced from PubChem (CID 112697354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).