ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate

C11H12N4O6S2 — CID 16874821

IUPACethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H12N4O6S2/c1-2-21-8(16)3-6-5-22-11(13-6)15-23(19,20)7-4-12-10(18)14-9(7)17/h4-5H,2-3H2,1H3,(H,13,15)(H2,12,14,17,18)
InChIKeyULOFBPJJSYOCSP-UHFFFAOYSA-N
MW360.37 g/mol
LogP-0.57
Rot. Bonds6

About ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate (PubChem CID 16874821) has the molecular formula C11H12N4O6S2 and a molecular weight of 360.37 g/mol. Its IUPAC name is ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
PubChem CID16874821
Molecular FormulaC11H12N4O6S2
Molecular Weight360.37 g/mol
Exact Mass360.02
IUPAC Nameethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)n1
InChIInChI=1S/C11H12N4O6S2/c1-2-21-8(16)3-6-5-22-11(13-6)15-23(19,20)7-4-12-10(18)14-9(7)17/h4-5H,2-3H2,1H3,(H,13,15)(H2,12,14,17,18)
InChIKeyULOFBPJJSYOCSP-UHFFFAOYSA-N
XLogP-0.57
TPSA151.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

ethyl 2-[2-[(2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10268845
ethyl 2-[2-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
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sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate
CID 174221224
ethyl 2-[2-[(4-bromo-2-fluorophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
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CID 10199594
ethyl 2-[2-(difluoromethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624476
ethyl 2-[2-[(3-bromothiophen-2-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 61456143
ethyl 2-[2-[(4-cyanophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 10269387
ethyl 2-[2-(1H-pyrazol-4-ylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575988
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
CID 3477732
ethyl 3-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]propanoate
CID 80575297
ethyl 2-[2-(carbamothioylamino)-1,3-thiazol-4-yl]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate (CID 16874821) is ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)n1.
What is the InChIKey of ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
The InChIKey is ULOFBPJJSYOCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O6S2/c1-2-21-8(16)3-6-5-22-11(13-6)15-23(19,20)7-4-12-10(18)14-9(7)17/h4-5H,2-3H2,1H3,(H,13,15)(H2,12,14,17,18).
What are the key properties of ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate has a molecular weight of 360.37 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 16874821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).