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

C12H11N3O3S — CID 102921506

IUPAC5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2cncnc2)s1
InChIInChI=1S/C12H11N3O3S/c1-2-8-3-9(12(17)18)11(19-8)15-10(16)7-4-13-6-14-5-7/h3-6H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyKDBKMKAPFHQKQB-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.05
Rot. Bonds4

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

5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 102921506) has the molecular formula C12H11N3O3S and a molecular weight of 277.31 g/mol. Its IUPAC name is 5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
PubChem CID102921506
Molecular FormulaC12H11N3O3S
Molecular Weight277.31 g/mol
Exact Mass277.05
IUPAC Name5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(NC(=O)c2cncnc2)s1
InChIInChI=1S/C12H11N3O3S/c1-2-8-3-9(12(17)18)11(19-8)15-10(16)7-4-13-6-14-5-7/h3-6H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyKDBKMKAPFHQKQB-UHFFFAOYSA-N
XLogP2.05
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-2-(1H-pyrazole-4-carbonylamino)thiophene-3-carboxylic acid
CID 63614496
2-acetamido-5-ethylthiophene-3-carboxylic acid
CID 21230639
5-ethyl-2-(thiophene-3-carbonylamino)thiophene-3-carboxylic acid
CID 63616182
5-ethyl-2-[(3-ethylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615151
5-ethyl-2-[(2-fluorobenzoyl)amino]thiophene-3-carboxylic acid
CID 876996
3-[[5-ethyl-2-(pyridine-3-carbonylamino)thiophene-3-carbonyl]amino]propanoic acid
CID 82033552
2-[(2,4-dichlorobenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 63616464
5-ethyl-2-[(3-hydroxy-2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 82810194
5-ethyl-2-[(2-hydroxy-4-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616191
5-ethyl-2-[(2-hydroxy-5-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 63616184
5-ethyl-2-[(3-methylthiophene-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 63616189
2-[(2-chloro-5-hydroxybenzoyl)amino]-5-ethylthiophene-3-carboxylic acid
CID 106500285

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid (CID 102921506) is 5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid is CCc1cc(C(=O)O)c(NC(=O)c2cncnc2)s1.
What is the InChIKey of 5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is KDBKMKAPFHQKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3S/c1-2-8-3-9(12(17)18)11(19-8)15-10(16)7-4-13-6-14-5-7/h3-6H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid?
5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 277.31 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(pyrimidine-5-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 102921506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).