2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

C15H18N2O4S2 — CID 87545585

IUPAC2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)O)c(C)s2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-3-4-11-5-7-12(8-6-11)23(20,21)17-15-16-13(9-14(18)19)10(2)22-15/h5-8H,3-4,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZILWZCZXGKLFMH-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.83
Rot. Bonds7

About 2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid

2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 87545585) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID87545585
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)O)c(C)s2)cc1
InChIInChI=1S/C15H18N2O4S2/c1-3-4-11-5-7-12(8-6-11)23(20,21)17-15-16-13(9-14(18)19)10(2)22-15/h5-8H,3-4,9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZILWZCZXGKLFMH-UHFFFAOYSA-N
XLogP2.83
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 61477562
methyl 2-[2-[(4-methoxyphenyl)sulfonylamino]-5-methyl-1,3-thiazol-4-yl]acetate
CID 2809824
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 61477638
4-(cyanomethyl)-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 79185569
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzenesulfonamide
CID 61068278
5-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)sulfamoyl]furan-2-carboxylic acid
CID 61473108
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
N-[5-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-4-propylbenzenesulfonamide
CID 10224344
N-[3-(2-oxo-2-piperidin-1-ylethyl)-1,2,4-thiadiazol-5-yl]-4-propylbenzenesulfonamide
CID 22028015
N-[5-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]-4-propylbenzenesulfonamide
CID 10216285
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61475746
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazol-2-yl]-4-propylbenzenesulfonamide
CID 11373211

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid (CID 87545585) is 2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is CCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)O)c(C)s2)cc1.
What is the InChIKey of 2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZILWZCZXGKLFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-3-4-11-5-7-12(8-6-11)23(20,21)17-15-16-13(9-14(18)19)10(2)22-15/h5-8H,3-4,9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid?
2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 354.45 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 87545585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).