2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid

C10H8N2O3S2 — CID 116696608

IUPAC2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NCc2cccs2)n1
InChIInChI=1S/C10H8N2O3S2/c13-8(11-4-6-2-1-3-16-6)9-12-7(5-17-9)10(14)15/h1-3,5H,4H2,(H,11,13)(H,14,15)
InChIKeyMHARFELTLHFGEB-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.83
Rot. Bonds4

About 2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid

2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 116696608) has the molecular formula C10H8N2O3S2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID116696608
Molecular FormulaC10H8N2O3S2
Molecular Weight268.32 g/mol
Exact Mass268.00
IUPAC Name2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NCc2cccs2)n1
InChIInChI=1S/C10H8N2O3S2/c13-8(11-4-6-2-1-3-16-6)9-12-7(5-17-9)10(14)15/h1-3,5H,4H2,(H,11,13)(H,14,15)
InChIKeyMHARFELTLHFGEB-UHFFFAOYSA-N
XLogP1.83
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
6-bromo-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 103874120
2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696977
2-(1-aminoethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3832023
6-fluoro-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 115496761
5-amino-N-(thiophen-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80615369
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
4-amino-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62153900
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 114180825
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
2-(but-3-enylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116697445
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid (CID 116696608) is 2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)NCc2cccs2)n1.
What is the InChIKey of 2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is MHARFELTLHFGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S2/c13-8(11-4-6-2-1-3-16-6)9-12-7(5-17-9)10(14)15/h1-3,5H,4H2,(H,11,13)(H,14,15).
What are the key properties of 2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).