2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid

C12H12N2O4S2 — CID 104936964

IUPAC2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid
SMILESCc1ncc(S(=O)(=O)N(CC(=O)O)c2ccccc2)s1
InChIInChI=1S/C12H12N2O4S2/c1-9-13-7-12(19-9)20(17,18)14(8-11(15)16)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyPNCJVRATRQXFAT-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.73
Rot. Bonds5

About 2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid

2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid (PubChem CID 104936964) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid
PubChem CID104936964
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Name2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid
SMILESCc1ncc(S(=O)(=O)N(CC(=O)O)c2ccccc2)s1
InChIInChI=1S/C12H12N2O4S2/c1-9-13-7-12(19-9)20(17,18)14(8-11(15)16)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
InChIKeyPNCJVRATRQXFAT-UHFFFAOYSA-N
XLogP1.73
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(3-hydroxyphenyl)-2-methyl-N-(2-methylpropyl)-1,3-thiazole-5-sulfonamide
CID 75388800
methyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
CID 103853917
N-(4-aminophenyl)-2-methyl-N-propyl-1,3-thiazole-5-sulfonamide
CID 103413967
ethyl 2-[methyl-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]amino]acetate
CID 103815343
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2-(N-(4-aminophenyl)sulfonylanilino)acetic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid?
The IUPAC name of 2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid (CID 104936964) is 2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid.
What is the SMILES notation for 2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid?
The canonical SMILES for 2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid is Cc1ncc(S(=O)(=O)N(CC(=O)O)c2ccccc2)s1.
What is the InChIKey of 2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid?
The InChIKey is PNCJVRATRQXFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-9-13-7-12(19-9)20(17,18)14(8-11(15)16)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid?
2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid has a molecular weight of 312.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]anilino]acetic acid is sourced from PubChem (CID 104936964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).