5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid

C9H8N2O3S2 — CID 103199862

IUPAC5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1csc(-c2nc(C(=O)O)c(N)s2)c1
InChIInChI=1S/C9H8N2O3S2/c1-14-4-2-5(15-3-4)8-11-6(9(12)13)7(10)16-8/h2-3H,10H2,1H3,(H,12,13)
InChIKeyHGYRNOMZTQQEDY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.16
Rot. Bonds3

About 5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid

5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 103199862) has the molecular formula C9H8N2O3S2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID103199862
Molecular FormulaC9H8N2O3S2
Molecular Weight256.31 g/mol
Exact Mass256.00
IUPAC Name5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid
SMILESCOc1csc(-c2nc(C(=O)O)c(N)s2)c1
InChIInChI=1S/C9H8N2O3S2/c1-14-4-2-5(15-3-4)8-11-6(9(12)13)7(10)16-8/h2-3H,10H2,1H3,(H,12,13)
InChIKeyHGYRNOMZTQQEDY-UHFFFAOYSA-N
XLogP2.16
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-(3-chloro-4-methylthiophen-2-yl)-1,3-thiazole-4-carboxylic acid
CID 103408838
5-amino-2-(3,5-dibromophenyl)-1,3-thiazole-4-carboxylic acid
CID 107981281
5-amino-2-(4-butoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 103199894
5-amino-1,3-thiazole-2,4-dicarboxylic acid
CID 84770637
methyl 5-amino-2-(4,5-dimethylthiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199632
5-amino-2-(2,5-dibromothiophen-3-yl)-1,3-thiazole-4-carboxylic acid
CID 107970764
5-amino-2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylic acid
CID 103199844
methyl 5-amino-2-(5-bromothiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199710
methyl 5-amino-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1,3-thiazole-4-carboxylate
CID 103199582
2-(4-bromothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360066
5-amino-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 83707486
2-(4-chlorothiophen-2-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360752

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid (CID 103199862) is 5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid is COc1csc(-c2nc(C(=O)O)c(N)s2)c1.
What is the InChIKey of 5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is HGYRNOMZTQQEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3S2/c1-14-4-2-5(15-3-4)8-11-6(9(12)13)7(10)16-8/h2-3H,10H2,1H3,(H,12,13).
What are the key properties of 5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid?
5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-methoxythiophen-2-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103199862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).