2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid

C13H14N2O4S2 — CID 61280702

IUPAC2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
SMILESCc1nc(CNS(=O)(=O)c2ccc(CC(=O)O)cc2)cs1
InChIInChI=1S/C13H14N2O4S2/c1-9-15-11(8-20-9)7-14-21(18,19)12-4-2-10(3-5-12)6-13(16)17/h2-5,8,14H,6-7H2,1H3,(H,16,17)
InChIKeyUXMQZZXTBXGUHB-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.56
Rot. Bonds6

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

2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid (PubChem CID 61280702) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
PubChem CID61280702
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC Name2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid
SMILESCc1nc(CNS(=O)(=O)c2ccc(CC(=O)O)cc2)cs1
InChIInChI=1S/C13H14N2O4S2/c1-9-15-11(8-20-9)7-14-21(18,19)12-4-2-10(3-5-12)6-13(16)17/h2-5,8,14H,6-7H2,1H3,(H,16,17)
InChIKeyUXMQZZXTBXGUHB-UHFFFAOYSA-N
XLogP1.56
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfonyl]phenyl]acetic acid
CID 43440371
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 7152309
2-[4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]phenyl]acetic acid
CID 61043593
2-methyl-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoic acid
CID 61066738
ethyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
CID 47044569
4-butoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 3245366
5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61284002
methyl 2-bromo-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]benzoate
CID 55922717
2-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-5-sulfonamide
CID 61284804
methyl 2-[2-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenoxy]acetate
CID 100814263
2-(2-methyl-1,3-thiazol-4-yl)-N-[4-(propylsulfamoyl)phenyl]acetamide
CID 134063109

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid (CID 61280702) is 2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid is Cc1nc(CNS(=O)(=O)c2ccc(CC(=O)O)cc2)cs1.
What is the InChIKey of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid?
The InChIKey is UXMQZZXTBXGUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c1-9-15-11(8-20-9)7-14-21(18,19)12-4-2-10(3-5-12)6-13(16)17/h2-5,8,14H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid?
2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid has a molecular weight of 326.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 61280702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).