2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid

C8H6N2O3S2 — CID 130874646

IUPAC2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1cc(-c2nc(C(=O)O)cs2)sn1
InChIInChI=1S/C8H6N2O3S2/c1-13-6-2-5(15-10-6)7-9-4(3-14-7)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyKVIJNLLAEDIRRV-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.97
Rot. Bonds3

About 2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid

2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 130874646) has the molecular formula C8H6N2O3S2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID130874646
Molecular FormulaC8H6N2O3S2
Molecular Weight242.28 g/mol
Exact Mass241.98
IUPAC Name2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1cc(-c2nc(C(=O)O)cs2)sn1
InChIInChI=1S/C8H6N2O3S2/c1-13-6-2-5(15-10-6)7-9-4(3-14-7)8(11)12/h2-3H,1H3,(H,11,12)
InChIKeyKVIJNLLAEDIRRV-UHFFFAOYSA-N
XLogP1.97
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxy-1,2-thiazol-5-yl)thiophene-3-carboxylic acid
CID 130704950
2-(2-methoxy-3-pyridinyl)-1,3-thiazole-4-carboxylic acid
CID 83294123
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 115354779
2-(1-methylimidazol-4-yl)-1,3-thiazole-4-carboxylic acid
CID 82672744
2-(2-methylthiophen-3-yl)-1,3-thiazole-4-carboxylic acid
CID 130581375
2-[3-[(4-methoxyphenoxy)methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39158618
2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid
CID 115349479
2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 19611008
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid (CID 130874646) is 2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid is COc1cc(-c2nc(C(=O)O)cs2)sn1.
What is the InChIKey of 2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is KVIJNLLAEDIRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S2/c1-13-6-2-5(15-10-6)7-9-4(3-14-7)8(11)12/h2-3H,1H3,(H,11,12).
What are the key properties of 2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid?
2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-1,2-thiazol-5-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 130874646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).