methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate

C11H13N3O5S2 — CID 104773168

IUPACmethyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C11H13N3O5S2/c1-6-4-12-9(19-6)7(2)14-21(16,17)11-8(10(15)18-3)13-5-20-11/h4-5,7,14H,1-3H3
InChIKeyWNWPKLYNHHDQTM-UHFFFAOYSA-N
MW331.38 g/mol
LogP1.27
Rot. Bonds5

About methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate

methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate (PubChem CID 104773168) has the molecular formula C11H13N3O5S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
PubChem CID104773168
Molecular FormulaC11H13N3O5S2
Molecular Weight331.38 g/mol
Exact Mass331.03
IUPAC Namemethyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1ncsc1S(=O)(=O)NC(C)c1ncc(C)o1
InChIInChI=1S/C11H13N3O5S2/c1-6-4-12-9(19-6)7(2)14-21(16,17)11-8(10(15)18-3)13-5-20-11/h4-5,7,14H,1-3H3
InChIKeyWNWPKLYNHHDQTM-UHFFFAOYSA-N
XLogP1.27
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106388982
methyl 5-(1,3-thiazol-5-ylmethylsulfamoyl)-1,3-thiazole-4-carboxylate
CID 113451668
5-(hydroxymethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390084
methyl 5-chlorosulfonyl-1,3-thiazole-4-carboxylate
CID 15077125
2-(ethylaminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390208
5-(aminomethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]thiophene-3-sulfonamide
CID 106390197
methyl 5-[[(2R)-2-(ethylamino)propyl]sulfamoyl]-1,3-thiazole-4-carboxylate;hydrochloride
CID 120875849
tert-butyl N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]carbamate
CID 103947091
methyl 5-[(3-methoxy-3-oxopropyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 113391949
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106389555
methyl 5-[(6-bromo-5-methyl-3-pyridinyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 104952560
6-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-sulfonamide
CID 103947096

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate (CID 104773168) is methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate is COC(=O)c1ncsc1S(=O)(=O)NC(C)c1ncc(C)o1.
What is the InChIKey of methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate?
The InChIKey is WNWPKLYNHHDQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S2/c1-6-4-12-9(19-6)7(2)14-21(16,17)11-8(10(15)18-3)13-5-20-11/h4-5,7,14H,1-3H3.
What are the key properties of methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate?
methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate has a molecular weight of 331.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(5-methyl-1,3-oxazol-2-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 104773168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).