3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide

C13H20N4O2S — CID 103525009

IUPAC3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide
SMILESCOc1c(N2CCNCC2)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C13H20N4O2S/c1-19-10-9(14)11(12(18)16-8-2-3-8)20-13(10)17-6-4-15-5-7-17/h8,15H,2-7,14H2,1H3,(H,16,18)
InChIKeyNOVGEQBPQAIITH-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.64
Rot. Bonds4

About 3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide

3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide (PubChem CID 103525009) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide
PubChem CID103525009
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide
SMILESCOc1c(N2CCNCC2)sc(C(=O)NC2CC2)c1N
InChIInChI=1S/C13H20N4O2S/c1-19-10-9(14)11(12(18)16-8-2-3-8)20-13(10)17-6-4-15-5-7-17/h8,15H,2-7,14H2,1H3,(H,16,18)
InChIKeyNOVGEQBPQAIITH-UHFFFAOYSA-N
XLogP0.64
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methoxythiophene-2-carboxamide
CID 103419611
3-amino-N-cyclopropyl-4-methoxy-5-(2-methylthiomorpholin-4-yl)thiophene-2-carboxamide
CID 103507469
3-amino-4-methoxy-N-methyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418885
3-amino-N-cyclopropyl-4-methoxy-5-(methylamino)thiophene-2-carboxamide
CID 103424225
3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
CID 103525626
3-amino-5-(azepan-1-yl)-N-cyclopropyl-4-methylsulfanylthiophene-2-carboxamide
CID 103419637
methyl 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxythiophene-2-carboxylate
CID 106840044
3-amino-N-cyclopropyl-4-methoxy-5-(2,2,2-trifluoroethylamino)thiophene-2-carboxamide
CID 103425826
3-amino-5-(3,4-dihydroxypyrrolidin-1-yl)-4-methoxy-N-methylthiophene-2-carboxamide
CID 106674824
methyl 5-acetyl-4-amino-2-piperazin-1-ylthiophene-3-carboxylate
CID 103524937
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
3-amino-4-methoxy-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542420

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide (CID 103525009) is 3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide is COc1c(N2CCNCC2)sc(C(=O)NC2CC2)c1N.
What is the InChIKey of 3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide?
The InChIKey is NOVGEQBPQAIITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-19-10-9(14)11(12(18)16-8-2-3-8)20-13(10)17-6-4-15-5-7-17/h8,15H,2-7,14H2,1H3,(H,16,18).
What are the key properties of 3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide?
3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-4-methoxy-5-piperazin-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 103525009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).