5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid

C11H12N2O5S — CID 174956541

IUPAC5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid
SMILESCc1c(C(=O)O)sc(NC(=O)NC2CC2)c1C(=O)O
InChIInChI=1S/C11H12N2O5S/c1-4-6(9(14)15)8(19-7(4)10(16)17)13-11(18)12-5-2-3-5/h5H,2-3H2,1H3,(H,14,15)(H,16,17)(H2,12,13,18)
InChIKeyRYIWJNYWBVRFMB-UHFFFAOYSA-N
MW284.29 g/mol
LogP1.74
Rot. Bonds4

About 5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid

5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid (PubChem CID 174956541) has the molecular formula C11H12N2O5S and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid
PubChem CID174956541
Molecular FormulaC11H12N2O5S
Molecular Weight284.29 g/mol
Exact Mass284.05
IUPAC Name5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid
SMILESCc1c(C(=O)O)sc(NC(=O)NC2CC2)c1C(=O)O
InChIInChI=1S/C11H12N2O5S/c1-4-6(9(14)15)8(19-7(4)10(16)17)13-11(18)12-5-2-3-5/h5H,2-3H2,1H3,(H,14,15)(H,16,17)(H2,12,13,18)
InChIKeyRYIWJNYWBVRFMB-UHFFFAOYSA-N
XLogP1.74
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-[(1-methylpiperidin-4-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63113965
diethyl 5-(cyclohexylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylate
CID 28693670
4,5-dimethyl-2-[(6-oxopiperidin-3-yl)carbamoylamino]thiophene-3-carboxylic acid
CID 63662851
2-(cyclohexylcarbamoylamino)-4,5-dimethylthiophene-3-carboxamide
CID 874492
ethyl 2-(cyclohexylcarbamoylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 4681804
2-(cyclohexylcarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CID 28860432
2-(cyclopropylcarbamoylamino)-5-ethylthiophene-3-carboxylic acid
CID 55249146
2-(cyclobutylmethylcarbamoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 63114078
2-(cyclopropylcarbamoylamino)thiophene-3-carboxylic acid
CID 62700415
dimethyl 5-[(1-ethylpiperidin-4-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate
CID 17381831
5-(heptoxycarbonylamino)-3-methylthiophene-2,4-dicarboxylic acid
CID 22053783
methyl 5-(cyclopropylcarbamoylamino)-4-methylthiophene-3-carboxylate
CID 154751859

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid?
The IUPAC name of 5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid (CID 174956541) is 5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid.
What is the SMILES notation for 5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid?
The canonical SMILES for 5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid is Cc1c(C(=O)O)sc(NC(=O)NC2CC2)c1C(=O)O.
What is the InChIKey of 5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid?
The InChIKey is RYIWJNYWBVRFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5S/c1-4-6(9(14)15)8(19-7(4)10(16)17)13-11(18)12-5-2-3-5/h5H,2-3H2,1H3,(H,14,15)(H,16,17)(H2,12,13,18).
What are the key properties of 5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid?
5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid has a molecular weight of 284.29 g/mol, XLogP of 1.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylcarbamoylamino)-3-methylthiophene-2,4-dicarboxylic acid is sourced from PubChem (CID 174956541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).