3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide

C10H16N4O2S — CID 103525772

IUPAC3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N2CCC(N)C2)sc(C(N)=O)c1N
InChIInChI=1S/C10H16N4O2S/c1-16-7-6(12)8(9(13)15)17-10(7)14-3-2-5(11)4-14/h5H,2-4,11-12H2,1H3,(H2,13,15)
InChIKeyRCWBFKSTCNNZGO-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.02
Rot. Bonds3

About 3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide

3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide (PubChem CID 103525772) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
PubChem CID103525772
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N2CCC(N)C2)sc(C(N)=O)c1N
InChIInChI=1S/C10H16N4O2S/c1-16-7-6(12)8(9(13)15)17-10(7)14-3-2-5(11)4-14/h5H,2-4,11-12H2,1H3,(H2,13,15)
InChIKeyRCWBFKSTCNNZGO-UHFFFAOYSA-N
XLogP-0.02
TPSA107.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
CID 103507599
methyl 3-amino-5-(3-aminopyrrolidin-1-yl)-4-carbamoylthiophene-2-carboxylate
CID 103525742
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide
CID 103505458
3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103422881
3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
CID 103525626
methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506114
3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103418763
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506297
ethyl 3-amino-4-methoxy-5-[3-(methoxymethyl)pyrrolidin-1-yl]thiophene-2-carboxylate
CID 103422661
methyl 4-amino-2-(4-aminopiperidin-1-yl)-5-carbamoylthiophene-3-carboxylate
CID 103525672

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide (CID 103525772) is 3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide is COc1c(N2CCC(N)C2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide?
The InChIKey is RCWBFKSTCNNZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-16-7-6(12)8(9(13)15)17-10(7)14-3-2-5(11)4-14/h5H,2-4,11-12H2,1H3,(H2,13,15).
What are the key properties of 3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide?
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide has a molecular weight of 256.33 g/mol, XLogP of -0.02, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103525772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).