2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid

C10H7N3O3S — CID 102921362

IUPAC2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1cncnc1
InChIInChI=1S/C10H7N3O3S/c14-8(6-3-11-5-12-4-6)13-9-7(10(15)16)1-2-17-9/h1-5H,(H,13,14)(H,15,16)
InChIKeyHAIPWSCUJIENFU-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.49
Rot. Bonds3

About 2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid

2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 102921362) has the molecular formula C10H7N3O3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
PubChem CID102921362
Molecular FormulaC10H7N3O3S
Molecular Weight249.25 g/mol
Exact Mass249.02
IUPAC Name2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
SMILESO=C(Nc1sccc1C(=O)O)c1cncnc1
InChIInChI=1S/C10H7N3O3S/c14-8(6-3-11-5-12-4-6)13-9-7(10(15)16)1-2-17-9/h1-5H,(H,13,14)(H,15,16)
InChIKeyHAIPWSCUJIENFU-UHFFFAOYSA-N
XLogP1.49
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzamidothiophene-3-carboxylic acid
CID 16639461
ethyl N-[2-(pyrimidine-5-carbonylamino)thiophene-3-carbonyl]carbamate
CID 121464823
2-[(4-bromobenzoyl)amino]thiophene-3-carboxylic acid
CID 16777500
2-[(4-hydroxy-3-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 107674668
2-[(3-carbamoylbenzoyl)amino]thiophene-3-carboxylic acid
CID 60858679
2-(pyrimidine-5-carbonylamino)benzoic acid
CID 110466857
2-[[4-[(dimethylamino)methyl]benzoyl]amino]thiophene-3-carboxylic acid
CID 43357483
5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
CID 102921506
2-[(3-acetamidobenzoyl)amino]thiophene-3-carboxylic acid
CID 43171537
2-[[3-(difluoromethoxy)benzoyl]amino]thiophene-3-carboxylic acid
CID 28973919
2-[(2-methylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 43664804
2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802577

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid (CID 102921362) is 2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid is O=C(Nc1sccc1C(=O)O)c1cncnc1.
What is the InChIKey of 2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is HAIPWSCUJIENFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3S/c14-8(6-3-11-5-12-4-6)13-9-7(10(15)16)1-2-17-9/h1-5H,(H,13,14)(H,15,16).
What are the key properties of 2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 249.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 102921362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).