2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid

C8H14N4O4S2 — CID 106343003

IUPAC2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCNS(=O)(=O)CCNc1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C8H14N4O4S2/c1-10-18(15,16)3-2-11-8-12-5(4-17-8)6(9)7(13)14/h4,6,10H,2-3,9H2,1H3,(H,11,12)(H,13,14)
InChIKeyJCZZPAOAQQLPQJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.81
Rot. Bonds7

About 2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 106343003) has the molecular formula C8H14N4O4S2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID106343003
Molecular FormulaC8H14N4O4S2
Molecular Weight294.36 g/mol
Exact Mass294.05
IUPAC Name2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCNS(=O)(=O)CCNc1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C8H14N4O4S2/c1-10-18(15,16)3-2-11-8-12-5(4-17-8)6(9)7(13)14/h4,6,10H,2-3,9H2,1H3,(H,11,12)(H,13,14)
InChIKeyJCZZPAOAQQLPQJ-UHFFFAOYSA-N
XLogP-0.81
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106343023
2-amino-2-[2-[4-(dimethylamino)butylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527655
2-amino-2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527437
2-amino-2-[2-[2-(3,5-difluorophenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527812
2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 113423133
2-amino-2-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104528076
2-amino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527434
2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid
CID 114174029
2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527796
2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527323
2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 104528096

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid (CID 106343003) is 2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid is CNS(=O)(=O)CCNc1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is JCZZPAOAQQLPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S2/c1-10-18(15,16)3-2-11-8-12-5(4-17-8)6(9)7(13)14/h4,6,10H,2-3,9H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 294.36 g/mol, XLogP of -0.81, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 106343003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).