methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate

C10H10N2O4S3 — CID 43624509

IUPACmethyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C10H10N2O4S3/c1-16-8(13)5-7-6-18-10(11-7)12-19(14,15)9-3-2-4-17-9/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyWQVRAAOBDUCUDI-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.72
Rot. Bonds5

About methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate

methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 43624509) has the molecular formula C10H10N2O4S3 and a molecular weight of 318.40 g/mol. Its IUPAC name is methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID43624509
Molecular FormulaC10H10N2O4S3
Molecular Weight318.40 g/mol
Exact Mass317.98
IUPAC Namemethyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NS(=O)(=O)c2cccs2)n1
InChIInChI=1S/C10H10N2O4S3/c1-16-8(13)5-7-6-18-10(11-7)12-19(14,15)9-3-2-4-17-9/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyWQVRAAOBDUCUDI-UHFFFAOYSA-N
XLogP1.72
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[2-[(4-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624510
methyl 2-[2-(benzylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624515
4-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655544
methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624485
methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 114465423
methyl 2-[2-(diethylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 43624505
methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 55014446
methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 61354731
ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
methyl 2-[2-(azepan-1-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624502
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603530
methyl 2-[2-(2-phenylpropylamino)-1,3-thiazol-4-yl]acetate
CID 104592481

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate (CID 43624509) is methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NS(=O)(=O)c2cccs2)n1.
What is the InChIKey of methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is WQVRAAOBDUCUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S3/c1-16-8(13)5-7-6-18-10(11-7)12-19(14,15)9-3-2-4-17-9/h2-4,6H,5H2,1H3,(H,11,12).
What are the key properties of methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 318.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 43624509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).