2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C15H16N2O6S2 — CID 119244941

IUPAC2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOCCS(=O)(=O)c1ccc(C(=O)NCc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C15H16N2O6S2/c1-23-6-7-25(21,22)11-4-2-10(3-5-11)14(18)16-8-13-17-12(9-24-13)15(19)20/h2-5,9H,6-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyVPYZFAYPHPWTSS-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.19
Rot. Bonds8

About 2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 119244941) has the molecular formula C15H16N2O6S2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID119244941
Molecular FormulaC15H16N2O6S2
Molecular Weight384.44 g/mol
Exact Mass384.04
IUPAC Name2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOCCS(=O)(=O)c1ccc(C(=O)NCc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C15H16N2O6S2/c1-23-6-7-25(21,22)11-4-2-10(3-5-11)14(18)16-8-13-17-12(9-24-13)15(19)20/h2-5,9H,6-8H2,1H3,(H,16,18)(H,19,20)
InChIKeyVPYZFAYPHPWTSS-UHFFFAOYSA-N
XLogP1.19
TPSA122.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(4-propan-2-ylsulfonylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244921
5-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110719
2-[[bis(2-methoxyethyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380743
2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 166178694
2-[[[3-methoxy-4-(3-methylbutoxy)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244720
2-[[(3-methylbenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380639
5-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 60725191
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380899
2-(benzamidomethyl)-1,3-thiazole-4-carboxylate
CID 7140214
2-[[(4-butoxy-3-ethoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245284
2-[[(4,6-dimethoxypyrimidine-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527049
2-[[(3-hydroxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381423

Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 119244941) is 2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is COCCS(=O)(=O)c1ccc(C(=O)NCc2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VPYZFAYPHPWTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6S2/c1-23-6-7-25(21,22)11-4-2-10(3-5-11)14(18)16-8-13-17-12(9-24-13)15(19)20/h2-5,9H,6-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(2-methoxyethylsulfonyl)benzoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 119244941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).