3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide

C12H18N4O2S — CID 103423057

IUPAC3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide
SMILESCCCNc1sc(C(=O)NC2CC2)c(N)c1C(N)=O
InChIInChI=1S/C12H18N4O2S/c1-2-5-15-12-7(10(14)17)8(13)9(19-12)11(18)16-6-3-4-6/h6,15H,2-5,13H2,1H3,(H2,14,17)(H,16,18)
InChIKeyQNWBERNDBJTAPF-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.14
Rot. Bonds6

About 3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide

3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide (PubChem CID 103423057) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide.

Molecular Properties

Compound Name3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide
PubChem CID103423057
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide
SMILESCCCNc1sc(C(=O)NC2CC2)c(N)c1C(N)=O
InChIInChI=1S/C12H18N4O2S/c1-2-5-15-12-7(10(14)17)8(13)9(19-12)11(18)16-6-3-4-6/h6,15H,2-5,13H2,1H3,(H2,14,17)(H,16,18)
InChIKeyQNWBERNDBJTAPF-UHFFFAOYSA-N
XLogP1.14
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-amino-5-(cyclopropylcarbamoyl)-2-(propylamino)thiophene-3-carboxylate
CID 103423052
methyl 4-amino-2-(butylamino)-5-(cyclopropylcarbamoyl)thiophene-3-carboxylate
CID 103425212
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115
3-amino-5-(cyclopentylamino)-2-N-propylthiophene-2,4-dicarboxamide
CID 103423956
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(2-methylpropylamino)thiophene-3-carboxylate
CID 103423779
3-amino-2-N-propyl-5-(2,2,2-trifluoroethylamino)thiophene-2,4-dicarboxamide
CID 103425822
methyl 4-amino-5-(cyclopropylcarbamoyl)-2-(methylamino)thiophene-3-carboxylate
CID 103424181
ethyl 3-amino-5-(butylamino)-4-carbamoylthiophene-2-carboxylate
CID 103425254
3-amino-5-(2-ethoxyethylamino)-2-N-methylthiophene-2,4-dicarboxamide
CID 103428666
3-amino-2-N-ethyl-5-(2-methylsulfonylethylamino)thiophene-2,4-dicarboxamide
CID 103432232
2-O-ethyl 4-O-methyl 3-amino-5-(propylamino)thiophene-2,4-dicarboxylate
CID 103423073
methyl 3-amino-4-carbamoyl-5-(hexylamino)thiophene-2-carboxylate
CID 103420099

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide?
The IUPAC name of 3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide (CID 103423057) is 3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide.
What is the SMILES notation for 3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide?
The canonical SMILES for 3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide is CCCNc1sc(C(=O)NC2CC2)c(N)c1C(N)=O.
What is the InChIKey of 3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide?
The InChIKey is QNWBERNDBJTAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-2-5-15-12-7(10(14)17)8(13)9(19-12)11(18)16-6-3-4-6/h6,15H,2-5,13H2,1H3,(H2,14,17)(H,16,18).
What are the key properties of 3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide?
3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-N-cyclopropyl-5-(propylamino)thiophene-2,4-dicarboxamide is sourced from PubChem (CID 103423057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).