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

C9H16N4O4S2 — CID 106343023

IUPAC2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCCNS(=O)(=O)CCNc1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C9H16N4O4S2/c1-2-12-19(16,17)4-3-11-9-13-6(5-18-9)7(10)8(14)15/h5,7,12H,2-4,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyDRFRZNPNCBPPCP-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.42
Rot. Bonds8

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

2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 106343023) has the molecular formula C9H16N4O4S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID106343023
Molecular FormulaC9H16N4O4S2
Molecular Weight308.38 g/mol
Exact Mass308.06
IUPAC Name2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCCNS(=O)(=O)CCNc1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C9H16N4O4S2/c1-2-12-19(16,17)4-3-11-9-13-6(5-18-9)7(10)8(14)15/h5,7,12H,2-4,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyDRFRZNPNCBPPCP-UHFFFAOYSA-N
XLogP-0.42
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106343003
2-amino-2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527437
N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide
CID 106338122
2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
2-amino-2-[2-[4-(dimethylamino)butylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527655
2-amino-2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527337
2-amino-2-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104528076
2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527741
2-amino-2-[2-[2-(3,5-difluorophenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527812
2-amino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527434
2-amino-2-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 113423133
2-amino-2-[2-(2-thiomorpholin-4-ylethylamino)-1,3-thiazol-4-yl]acetic acid
CID 114174029

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid (CID 106343023) is 2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid is CCNS(=O)(=O)CCNc1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is DRFRZNPNCBPPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4S2/c1-2-12-19(16,17)4-3-11-9-13-6(5-18-9)7(10)8(14)15/h5,7,12H,2-4,10H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[2-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 308.38 g/mol, XLogP of -0.42, 8 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-(ethylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 106343023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).