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

C8H11N3O6S2 — CID 114465423

IUPACmethyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NS(=O)(=O)NC(=O)OC)n1
InChIInChI=1S/C8H11N3O6S2/c1-16-6(12)3-5-4-18-7(9-5)10-19(14,15)11-8(13)17-2/h4H,3H2,1-2H3,(H,9,10)(H,11,13)
InChIKeyIVNMRCFFDDSAMF-UHFFFAOYSA-N
MW309.33 g/mol
LogP-0.13
Rot. Bonds5

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

methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 114465423) has the molecular formula C8H11N3O6S2 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate
PubChem CID114465423
Molecular FormulaC8H11N3O6S2
Molecular Weight309.33 g/mol
Exact Mass309.01
IUPAC Namemethyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1csc(NS(=O)(=O)NC(=O)OC)n1
InChIInChI=1S/C8H11N3O6S2/c1-16-6(12)3-5-4-18-7(9-5)10-19(14,15)11-8(13)17-2/h4H,3H2,1-2H3,(H,9,10)(H,11,13)
InChIKeyIVNMRCFFDDSAMF-UHFFFAOYSA-N
XLogP-0.13
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[2-(2-methoxyethylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 55014446
methyl 2-[2-(diethylsulfamoylamino)-1,3-thiazol-4-yl]acetate
CID 43624505
methyl 2-[2-(azepan-1-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624502
methyl 2-[2-(thiophen-2-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 43624509
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
methyl 2-[2-[(2-methylsulfonylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 61354731
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
methyl 2-[2-[(3-bromophenyl)sulfonylamino]-1,3-thiazol-4-yl]acetate
CID 43624485
methyl 2-[2-[[2-(methoxycarbonylamino)-4-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetate
CID 51106830
methyl 2-[2-(cyclopropylmethylamino)-1,3-thiazol-4-yl]acetate
CID 80575405
sodium N-[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]sulfamate
CID 174221224

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate (CID 114465423) is methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1csc(NS(=O)(=O)NC(=O)OC)n1.
What is the InChIKey of methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is IVNMRCFFDDSAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6S2/c1-16-6(12)3-5-4-18-7(9-5)10-19(14,15)11-8(13)17-2/h4H,3H2,1-2H3,(H,9,10)(H,11,13).
What are the key properties of methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 309.33 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(methoxycarbonylsulfamoylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 114465423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).