ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate

C15H18N2O5S2 — CID 87522175

IUPACethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate
SMILESCCOS(=O)(=O)Cc1cccc(OCc2csc(NC(C)=O)n2)c1
InChIInChI=1S/C15H18N2O5S2/c1-3-22-24(19,20)10-12-5-4-6-14(7-12)21-8-13-9-23-15(17-13)16-11(2)18/h4-7,9H,3,8,10H2,1-2H3,(H,16,17,18)
InChIKeyUVHDNQOYPJPESN-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.55
Rot. Bonds8

About ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate

ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate (PubChem CID 87522175) has the molecular formula C15H18N2O5S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate.

Molecular Properties

Compound Nameethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate
PubChem CID87522175
Molecular FormulaC15H18N2O5S2
Molecular Weight370.45 g/mol
Exact Mass370.07
IUPAC Nameethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate
SMILESCCOS(=O)(=O)Cc1cccc(OCc2csc(NC(C)=O)n2)c1
InChIInChI=1S/C15H18N2O5S2/c1-3-22-24(19,20)10-12-5-4-6-14(7-12)21-8-13-9-23-15(17-13)16-11(2)18/h4-7,9H,3,8,10H2,1-2H3,(H,16,17,18)
InChIKeyUVHDNQOYPJPESN-UHFFFAOYSA-N
XLogP2.55
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate 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

4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 66438656
1-(4-ethyl-1,3-thiazol-2-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 87065383
ethyl 2-[2-[[2-(3-ethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 2062144
N-[4-[(2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 47137996
4-[(3-acetamidophenoxy)methyl]-1,3-thiazole-2-carboxylic acid
CID 43664317
ethyl N-[[3-[2-(2-acetamido-1,3-thiazol-4-yl)ethyl]phenoxy]carbonylamino]-N-tert-butylcarbamate
CID 87522731
tert-butyl N-[[4-[(2-acetamido-1,3-thiazol-4-yl)methoxy]-2-ethylphenoxy]carbonylamino]carbamate
CID 87522981
2-benzyl-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]benzamide
CID 2476012
3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]thiophene-2-carboxylic acid
CID 55200988
N-[4-[(4-chloro-2-nitrophenoxy)methyl]-1,3-thiazol-2-yl]acetamide
CID 46535229
N-[4-(2,5-diethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17404838
N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62450130

Frequently Asked Questions

What is the IUPAC name of ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate?
The IUPAC name of ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate (CID 87522175) is ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate.
What is the SMILES notation for ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate?
The canonical SMILES for ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate is CCOS(=O)(=O)Cc1cccc(OCc2csc(NC(C)=O)n2)c1.
What is the InChIKey of ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate?
The InChIKey is UVHDNQOYPJPESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S2/c1-3-22-24(19,20)10-12-5-4-6-14(7-12)21-8-13-9-23-15(17-13)16-11(2)18/h4-7,9H,3,8,10H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate?
ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate has a molecular weight of 370.45 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [3-[(2-acetamido-1,3-thiazol-4-yl)methoxy]phenyl]methanesulfonate is sourced from PubChem (CID 87522175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).