(4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

C14H18N4OS — CID 61140524

IUPAC(4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESNc1c[nH]c(C(=O)N2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C14H18N4OS/c15-12-7-13(16-8-12)14(19)18-4-2-17(3-5-18)9-11-1-6-20-10-11/h1,6-8,10,16H,2-5,9,15H2
InChIKeyUJALLPJXTWZNNX-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.62
Rot. Bonds3

About (4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone

(4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 61140524) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is (4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID61140524
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name(4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
SMILESNc1c[nH]c(C(=O)N2CCN(Cc3ccsc3)CC2)c1
InChIInChI=1S/C14H18N4OS/c15-12-7-13(16-8-12)14(19)18-4-2-17(3-5-18)9-11-1-6-20-10-11/h1,6-8,10,16H,2-5,9,15H2
InChIKeyUJALLPJXTWZNNX-UHFFFAOYSA-N
XLogP1.62
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrazol-4-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 60786486
(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 43642134
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 71782896
(5-chloro-1-benzofuran-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9182011
[2-(aminomethyl)-1,3-thiazol-4-yl]-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 66375906
1-benzofuran-2-yl-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 134711962
ethyl 4-(thiophen-3-ylmethyl)piperazine-1-carboxylate
CID 30981151
(5-hydroxy-3-pyridinyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 63859905
(4-amino-1-methylpyrazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 65359737
(2-methyl-5-methylsulfonylphenyl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 9181515
4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 61139010
(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43642092

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone (CID 61140524) is (4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is Nc1c[nH]c(C(=O)N2CCN(Cc3ccsc3)CC2)c1.
What is the InChIKey of (4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is UJALLPJXTWZNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-12-7-13(16-8-12)14(19)18-4-2-17(3-5-18)9-11-1-6-20-10-11/h1,6-8,10,16H,2-5,9,15H2.
What are the key properties of (4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone?
(4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 290.39 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrrol-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 61140524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).