2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide

C11H15N3O2S — CID 61253475

IUPAC2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCNC1CC1
InChIInChI=1S/C11H15N3O2S/c12-10(16)8-4-6-17-11(8)14-9(15)3-5-13-7-1-2-7/h4,6-7,13H,1-3,5H2,(H2,12,16)(H,14,15)
InChIKeyBCCVYQAEVMEUEH-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.93
Rot. Bonds6

About 2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide

2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide (PubChem CID 61253475) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
PubChem CID61253475
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CCNC1CC1
InChIInChI=1S/C11H15N3O2S/c12-10(16)8-4-6-17-11(8)14-9(15)3-5-13-7-1-2-7/h4,6-7,13H,1-3,5H2,(H2,12,16)(H,14,15)
InChIKeyBCCVYQAEVMEUEH-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminobutanoylamino)thiophene-3-carboxamide
CID 61251927
2-(4-chlorobutanoylamino)thiophene-3-carboxamide
CID 63309353
2-(4-hydroxybutanoylamino)thiophene-3-carboxamide
CID 79193054
2-[(2-aminoacetyl)amino]thiophene-3-carboxamide
CID 60641622
ethyl 4-[(3-carbamoylthiophen-2-yl)amino]-4-oxobutanoate
CID 60660981
2-[[2-(3-aminoazetidin-1-yl)acetyl]amino]thiophene-3-carboxamide
CID 65249970
2-[3-(4-fluorophenyl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 7254924
N-(1-benzothiophen-5-yl)-3-(cyclopropylamino)propanamide
CID 60866896
2-[3-(1,3,4-thiadiazol-2-ylsulfanyl)propanoylamino]thiophene-3-carboxamide
CID 47136233
2-[(2-piperidin-1-ylacetyl)amino]thiophene-3-carboxamide
CID 8894856
trans-(1S,2S)-2-[(3-carbamoylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 40623444
4-[[3-(cyclopentylcarbamoyl)thiophen-2-yl]amino]-4-oxobutanoic acid
CID 6468323

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide (CID 61253475) is 2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CCNC1CC1.
What is the InChIKey of 2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide?
The InChIKey is BCCVYQAEVMEUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c12-10(16)8-4-6-17-11(8)14-9(15)3-5-13-7-1-2-7/h4,6-7,13H,1-3,5H2,(H2,12,16)(H,14,15).
What are the key properties of 2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide?
2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 61253475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).