1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone

C14H21N3OS — CID 103419343

IUPAC1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N2CCN(C)CC2)c(C2CC2)c1N
InChIInChI=1S/C14H21N3OS/c1-9(18)13-12(15)11(10-3-4-10)14(19-13)17-7-5-16(2)6-8-17/h10H,3-8,15H2,1-2H3
InChIKeyWITKMZNBQCFMNZ-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.16
Rot. Bonds3

About 1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone

1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone (PubChem CID 103419343) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
PubChem CID103419343
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
SMILESCC(=O)c1sc(N2CCN(C)CC2)c(C2CC2)c1N
InChIInChI=1S/C14H21N3OS/c1-9(18)13-12(15)11(10-3-4-10)14(19-13)17-7-5-16(2)6-8-17/h10H,3-8,15H2,1-2H3
InChIKeyWITKMZNBQCFMNZ-UHFFFAOYSA-N
XLogP2.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-amino-4-cyclopropyl-5-[4-(hydroxymethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103418331
1-[3-amino-4-cyclopropyl-5-(4-ethylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422591
1-[3-amino-4-cyclopropyl-5-(2-ethylthiomorpholin-4-yl)thiophen-2-yl]ethanone
CID 103506478
1-[3-amino-4-cyclopropyl-5-(3-hydroxy-3-methylpiperidin-1-yl)thiophen-2-yl]ethanone
CID 103506547
1-[3-amino-5-(4-methylpiperazin-1-yl)-4-methylsulfanylthiophen-2-yl]ethanone
CID 103419298
3-amino-5-(azocan-1-yl)-4-cyclopropylthiophene-2-carboxamide
CID 103420635
1-(3-amino-4-cyclopropyl-5-pyrrolidin-1-ylthiophen-2-yl)-2-methylpropan-1-one
CID 103418929
(3-amino-4-cyclopropyl-5-piperidin-1-ylthiophen-2-yl)-cyclopropylmethanone
CID 103419841
3-amino-4-cyclopropyl-N-methyl-5-piperidin-1-ylthiophene-2-carboxamide
CID 103419872
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645
ethyl 3-amino-4-cyclopropyl-5-(4-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103418809
3-amino-4-cyclopropyl-5-(3,3-dimethylpyrrolidin-1-yl)thiophene-2-carboxamide
CID 103505577

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone (CID 103419343) is 1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone is CC(=O)c1sc(N2CCN(C)CC2)c(C2CC2)c1N.
What is the InChIKey of 1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone?
The InChIKey is WITKMZNBQCFMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9(18)13-12(15)11(10-3-4-10)14(19-13)17-7-5-16(2)6-8-17/h10H,3-8,15H2,1-2H3.
What are the key properties of 1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone?
1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone has a molecular weight of 279.41 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-cyclopropyl-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone is sourced from PubChem (CID 103419343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).