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

C12H12N2O5S2 — CID 65345444

IUPAC2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C12H12N2O5S2/c1-7-11(20-12(17)13-7)21(18,19)14-9-4-2-3-8(5-9)6-10(15)16/h2-5,14H,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyQNLQXPKBNFZQKY-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.17
Rot. Bonds5

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

2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid (PubChem CID 65345444) has the molecular formula C12H12N2O5S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
PubChem CID65345444
Molecular FormulaC12H12N2O5S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Name2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc(CC(=O)O)c1
InChIInChI=1S/C12H12N2O5S2/c1-7-11(20-12(17)13-7)21(18,19)14-9-4-2-3-8(5-9)6-10(15)16/h2-5,14H,6H2,1H3,(H,13,17)(H,15,16)
InChIKeyQNLQXPKBNFZQKY-UHFFFAOYSA-N
XLogP1.17
TPSA116.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid
CID 62534389
2-chloro-5-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 60860714
2-[3-[(5-methylfuran-2-yl)sulfonylamino]phenyl]acetic acid
CID 155946485
2-[3-[(5-bromothiophen-2-yl)sulfonylamino]phenyl]acetic acid
CID 65345395
2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 65345578
2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid
CID 23061993
N-(3,5-difluorophenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712773
N-(4-tert-butylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712816
N-[(3-aminophenyl)methyl]-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 43593536
2-[3-(tert-butylsulfamoylamino)phenyl]acetic acid
CID 113421766
N-(4-butan-2-ylphenyl)-4-methyl-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 60712759
4-methyl-N-(2-methyl-3H-benzimidazol-5-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61274456

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid?
The IUPAC name of 2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid (CID 65345444) is 2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid is Cc1[nH]c(=O)sc1S(=O)(=O)Nc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid?
The InChIKey is QNLQXPKBNFZQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O5S2/c1-7-11(20-12(17)13-7)21(18,19)14-9-4-2-3-8(5-9)6-10(15)16/h2-5,14H,6H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid?
2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid has a molecular weight of 328.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonylamino]phenyl]acetic acid is sourced from PubChem (CID 65345444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).