2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid

C11H10N2O4S2 — CID 81126813

IUPAC2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1csc(C(=O)NCc2nc(C(=O)O)cs2)c1
InChIInChI=1S/C11H10N2O4S2/c1-17-6-2-8(18-4-6)10(14)12-3-9-13-7(5-19-9)11(15)16/h2,4-5H,3H2,1H3,(H,12,14)(H,15,16)
InChIKeyJJHMOCBFRIPFHI-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.84
Rot. Bonds5

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

2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 81126813) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID81126813
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1csc(C(=O)NCc2nc(C(=O)O)cs2)c1
InChIInChI=1S/C11H10N2O4S2/c1-17-6-2-8(18-4-6)10(14)12-3-9-13-7(5-19-9)11(15)16/h2,4-5H,3H2,1H3,(H,12,14)(H,15,16)
InChIKeyJJHMOCBFRIPFHI-UHFFFAOYSA-N
XLogP1.84
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(2-bromo-5-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380269
2-[[(4,6-dimethoxypyrimidine-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120527049
2-[[(2-hydroxy-3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66381219
2-[[(2,5-dimethylthiophene-3-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380470
N-(2-hydroxypropyl)-4-methoxythiophene-2-carboxamide
CID 81121281
2-[[(2-propyl-1,3-thiazole-5-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244787
2-[[2-(4-methoxyphenyl)butanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 120687741
2-[(naphthalene-2-carbonylamino)methyl]-1,3-thiazole-4-carboxylic acid
CID 166178694
2-[[bis(2-methoxyethyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380743
2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82303210
2-[[[(Z)-2-methylbut-2-enoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 115909985
N-[[4-(chloromethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 107233415

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 81126813) is 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is COc1csc(C(=O)NCc2nc(C(=O)O)cs2)c1.
What is the InChIKey of 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is JJHMOCBFRIPFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c1-17-6-2-8(18-4-6)10(14)12-3-9-13-7(5-19-9)11(15)16/h2,4-5H,3H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methoxythiophene-2-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 81126813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).