ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate

C10H16N2O5S2 — CID 64543438

IUPACethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)Nc1nc(C(C)O)cs1
InChIInChI=1S/C10H16N2O5S2/c1-3-17-9(14)4-5-19(15,16)12-10-11-8(6-18-10)7(2)13/h6-7,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyJTGKOTPGLXPCQL-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.89
Rot. Bonds7

About ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate

ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate (PubChem CID 64543438) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate
PubChem CID64543438
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Nameethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate
SMILESCCOC(=O)CCS(=O)(=O)Nc1nc(C(C)O)cs1
InChIInChI=1S/C10H16N2O5S2/c1-3-17-9(14)4-5-19(15,16)12-10-11-8(6-18-10)7(2)13/h6-7,13H,3-5H2,1-2H3,(H,11,12)
InChIKeyJTGKOTPGLXPCQL-UHFFFAOYSA-N
XLogP0.89
TPSA105.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,2-dimethylpropane-1-sulfonamide
CID 64572438
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylpropane-1-sulfonamide
CID 64573299
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-pyridin-2-ylethanesulfonamide
CID 64545476
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 64543448
methyl 3-[(3-ethoxy-3-oxopropyl)sulfonylamino]-4-methylthiophene-2-carboxylate
CID 114916450
ethyl 3-[(4-hydroxyphenyl)sulfamoyl]propanoate
CID 54951576
ethyl 3-[(4-aminophenyl)sulfamoyl]propanoate
CID 54951727
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]cyclopentanesulfonamide
CID 105361317
2-[[(3-ethoxy-3-oxopropyl)sulfonylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380108
N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-1,2-dimethylimidazole-4-sulfonamide
CID 64572227
4-(ethylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)butane-1-sulfonamide
CID 106051072
ethyl 3-[(2-amino-4,5-dimethylphenyl)sulfamoyl]propanoate
CID 62099108

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate?
The IUPAC name of ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate (CID 64543438) is ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate.
What is the SMILES notation for ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate?
The canonical SMILES for ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate is CCOC(=O)CCS(=O)(=O)Nc1nc(C(C)O)cs1.
What is the InChIKey of ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate?
The InChIKey is JTGKOTPGLXPCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-3-17-9(14)4-5-19(15,16)12-10-11-8(6-18-10)7(2)13/h6-7,13H,3-5H2,1-2H3,(H,11,12).
What are the key properties of ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate?
ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate has a molecular weight of 308.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]sulfamoyl]propanoate is sourced from PubChem (CID 64543438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).