2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid

C10H8N2O3S2 — CID 142232370

IUPAC2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid
SMILESNC(=O)Nc1sc(-c2ccsc2)cc1C(=O)O
InChIInChI=1S/C10H8N2O3S2/c11-10(15)12-8-6(9(13)14)3-7(17-8)5-1-2-16-4-5/h1-4H,(H,13,14)(H3,11,12,15)
InChIKeyUPBBLGSAOXSLLN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.67
Rot. Bonds3

About 2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid

2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid (PubChem CID 142232370) has the molecular formula C10H8N2O3S2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid
PubChem CID142232370
Molecular FormulaC10H8N2O3S2
Molecular Weight268.32 g/mol
Exact Mass268.00
IUPAC Name2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid
SMILESNC(=O)Nc1sc(-c2ccsc2)cc1C(=O)O
InChIInChI=1S/C10H8N2O3S2/c11-10(15)12-8-6(9(13)14)3-7(17-8)5-1-2-16-4-5/h1-4H,(H,13,14)(H3,11,12,15)
InChIKeyUPBBLGSAOXSLLN-UHFFFAOYSA-N
XLogP2.67
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-2-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-3-carboxylic acid
CID 1177253
2-Benzamido-5-phenylthiophene-3-carboxylic acid
CID 709215
2-(2,2-Dimethyl-propionylamino)-5-phenyl-thiophene-3-carboxylic acid
CID 762466
2-(Carbamoylamino)-5-{2-[5-(hydroxymethyl)thiophen-3-yl]ethynyl}thiophene-3-carboxamide
CID 25137989
2-(Carbamoylamino)-5-{2-[5-(1-hydroxypropyl)thiophen-3-yl]ethynyl}thiophene-3-carboxamide
CID 25137990
2-(Thiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 703864
Ethyl 5'-(acetylamino)-2,3'-bithiophene-4'-carboxylate
CID 759955
2-benzamido-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 722255
4-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]thiophene-3-carboxylic acid
CID 950131
2-(Thiophene-2-carbonylamino)-4-thiophen-2-ylthiophene-3-carboxylic acid
CID 1914390
6-Methyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 2790473
2-[(thiophen-2-ylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CID 724242

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid?
The IUPAC name of 2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid (CID 142232370) is 2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid is NC(=O)Nc1sc(-c2ccsc2)cc1C(=O)O.
What is the InChIKey of 2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid?
The InChIKey is UPBBLGSAOXSLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S2/c11-10(15)12-8-6(9(13)14)3-7(17-8)5-1-2-16-4-5/h1-4H,(H,13,14)(H3,11,12,15).
What are the key properties of 2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid?
2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid has a molecular weight of 268.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-thiophen-3-ylthiophene-3-carboxylic acid is sourced from PubChem (CID 142232370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).