5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid

C13H13N3O5S2 — CID 161073831

IUPAC5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESNCC(=O)Cc1ccc(S(=O)(=O)Nc2scnc2C(=O)O)cc1
InChIInChI=1S/C13H13N3O5S2/c14-6-9(17)5-8-1-3-10(4-2-8)23(20,21)16-12-11(13(18)19)15-7-22-12/h1-4,7,16H,5-6,14H2,(H,18,19)
InChIKeyUEZTYZJQFCCJKL-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.71
Rot. Bonds7

About 5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid

5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (PubChem CID 161073831) has the molecular formula C13H13N3O5S2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
PubChem CID161073831
Molecular FormulaC13H13N3O5S2
Molecular Weight355.40 g/mol
Exact Mass355.03
IUPAC Name5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
SMILESNCC(=O)Cc1ccc(S(=O)(=O)Nc2scnc2C(=O)O)cc1
InChIInChI=1S/C13H13N3O5S2/c14-6-9(17)5-8-1-3-10(4-2-8)23(20,21)16-12-11(13(18)19)15-7-22-12/h1-4,7,16H,5-6,14H2,(H,18,19)
InChIKeyUEZTYZJQFCCJKL-UHFFFAOYSA-N
XLogP0.71
TPSA139.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[4-(trifluoromethyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567415
5-[[6-(2-oxopropyl)-3-pyridinyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 157431483
5-[[4-[3-[(2-amino-2-iminoethyl)amino]-2-oxopropyl]-3-fluorophenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 161415854
5-[[3-fluoro-4-(hydrazinecarbonylamino)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 137428998
5-[(6-cyclohexyl-3-pyridinyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 158942457
5-[(2,6-dichlorophenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86566877
5-[(2-nitrophenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567421
5-[2-(2-chlorophenyl)ethylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567825
5-[(2-methoxyphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567094
5-(cyclohexylmethylsulfonylamino)-1,3-thiazole-4-carboxylic acid
CID 86566876
5-[(2-methoxyphenyl)methylsulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 86567026
2-[4-(pyrazin-2-ylsulfamoyl)phenyl]acetic acid
CID 43616102

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid (CID 161073831) is 5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is NCC(=O)Cc1ccc(S(=O)(=O)Nc2scnc2C(=O)O)cc1.
What is the InChIKey of 5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is UEZTYZJQFCCJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5S2/c14-6-9(17)5-8-1-3-10(4-2-8)23(20,21)16-12-11(13(18)19)15-7-22-12/h1-4,7,16H,5-6,14H2,(H,18,19).
What are the key properties of 5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid?
5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 355.40 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-amino-2-oxopropyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 161073831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).