2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid

C7H8N2O3S — CID 63617341

IUPAC2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(N)=O)s1
InChIInChI=1S/C7H8N2O3S/c1-3-2-4(6(10)11)5(13-3)9-7(8)12/h2H,1H3,(H,10,11)(H3,8,9,12)
InChIKeyNQYJFBAIVNSTKA-UHFFFAOYSA-N
MW200.22 g/mol
LogP1.25
Rot. Bonds2

About 2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid

2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid (PubChem CID 63617341) has the molecular formula C7H8N2O3S and a molecular weight of 200.22 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
PubChem CID63617341
Molecular FormulaC7H8N2O3S
Molecular Weight200.22 g/mol
Exact Mass200.03
IUPAC Name2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(N)=O)s1
InChIInChI=1S/C7H8N2O3S/c1-3-2-4(6(10)11)5(13-3)9-7(8)12/h2H,1H3,(H,10,11)(H3,8,9,12)
InChIKeyNQYJFBAIVNSTKA-UHFFFAOYSA-N
XLogP1.25
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid (CID 63617341) is 2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(N)=O)s1.
What is the InChIKey of 2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid?
The InChIKey is NQYJFBAIVNSTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3S/c1-3-2-4(6(10)11)5(13-3)9-7(8)12/h2H,1H3,(H,10,11)(H3,8,9,12).
What are the key properties of 2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid?
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid has a molecular weight of 200.22 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 63617341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).