4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile

C16H17N5OS — CID 91895188

IUPAC4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile
SMILESCc1sc(C(=O)N2CCN(c3ccccn3)CC2)c(N)c1C#N
InChIInChI=1S/C16H17N5OS/c1-11-12(10-17)14(18)15(23-11)16(22)21-8-6-20(7-9-21)13-4-2-3-5-19-13/h2-5H,6-9,18H2,1H3
InChIKeyQLFBIEMGILJRQB-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.87
Rot. Bonds2

About 4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile

4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile (PubChem CID 91895188) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile
PubChem CID91895188
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile
SMILESCc1sc(C(=O)N2CCN(c3ccccn3)CC2)c(N)c1C#N
InChIInChI=1S/C16H17N5OS/c1-11-12(10-17)14(18)15(23-11)16(22)21-8-6-20(7-9-21)13-4-2-3-5-19-13/h2-5H,6-9,18H2,1H3
InChIKeyQLFBIEMGILJRQB-UHFFFAOYSA-N
XLogP1.87
TPSA86.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854807
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 126776733
(3-chloro-6-methyl-1-benzothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17250311
(5-amino-1-methylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 82188777
(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)-(4-pyridin-2-yl-1,4-diazepan-1-yl)methanone
CID 126776097
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
[2,5-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]-(4-ethylpiperazin-1-yl)methanone
CID 6615554
(1,5-dimethylpyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 44757097
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile?
The IUPAC name of 4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile (CID 91895188) is 4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile.
What is the SMILES notation for 4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile?
The canonical SMILES for 4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile is Cc1sc(C(=O)N2CCN(c3ccccn3)CC2)c(N)c1C#N.
What is the InChIKey of 4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile?
The InChIKey is QLFBIEMGILJRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-12(10-17)14(18)15(23-11)16(22)21-8-6-20(7-9-21)13-4-2-3-5-19-13/h2-5H,6-9,18H2,1H3.
What are the key properties of 4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile?
4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile has a molecular weight of 327.41 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-5-(4-pyridin-2-ylpiperazine-1-carbonyl)thiophene-3-carbonitrile is sourced from PubChem (CID 91895188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).