3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide

C13H18N4O2S — CID 103418581

IUPAC3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCC(O)CC2)c(C#N)c1N
InChIInChI=1S/C13H18N4O2S/c1-2-16-12(19)11-10(15)9(7-14)13(20-11)17-5-3-8(18)4-6-17/h8,18H,2-6,15H2,1H3,(H,16,19)
InChIKeyHNVQCKYJCMKMAU-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.91
Rot. Bonds3

About 3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide

3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide (PubChem CID 103418581) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
PubChem CID103418581
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N2CCC(O)CC2)c(C#N)c1N
InChIInChI=1S/C13H18N4O2S/c1-2-16-12(19)11-10(15)9(7-14)13(20-11)17-5-3-8(18)4-6-17/h8,18H,2-6,15H2,1H3,(H,16,19)
InChIKeyHNVQCKYJCMKMAU-UHFFFAOYSA-N
XLogP0.91
TPSA102.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-cyano-N-ethyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422052
3-amino-4-cyano-5-(4-methylpiperidin-1-yl)-N-prop-2-enylthiophene-2-carboxamide
CID 103418830
3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
CID 103525626
3-amino-4-cyano-N-cyclopropyl-5-(3-hydroxypyrrolidin-1-yl)thiophene-2-carboxamide
CID 103421552
methyl 3-amino-4-cyano-5-(4-ethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103417965
3-amino-4-cyano-5-(3-methoxypyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103542443
3-amino-4-cyano-5-(3,4-dimethylpyrrolidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103506708
4-amino-2-(3-hydroxypyrrolidin-1-yl)-5-(2-methylpropanoyl)thiophene-3-carbonitrile
CID 103421663
5-acetyl-4-amino-2-(3-ethylpyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103506125
3-amino-4-cyano-5-(3-methylpiperidin-1-yl)-N-propylthiophene-2-carboxamide
CID 103419483
4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypyrrolidin-1-yl)thiophene-3-carbonitrile
CID 103421553
5-acetyl-4-amino-2-(4-methylazepan-1-yl)thiophene-3-carbonitrile
CID 103422082

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide (CID 103418581) is 3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide is CCNC(=O)c1sc(N2CCC(O)CC2)c(C#N)c1N.
What is the InChIKey of 3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide?
The InChIKey is HNVQCKYJCMKMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-16-12(19)11-10(15)9(7-14)13(20-11)17-5-3-8(18)4-6-17/h8,18H,2-6,15H2,1H3,(H,16,19).
What are the key properties of 3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide?
3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyano-N-ethyl-5-(4-hydroxypiperidin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103418581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).