N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide

C17H19N5O2S — CID 17493933

IUPACN-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1)C1CC1
InChIInChI=1S/C17H19N5O2S/c23-15(12-2-3-12)20-14-5-4-13(25-14)16(24)21-8-10-22(11-9-21)17-18-6-1-7-19-17/h1,4-7,12H,2-3,8-11H2,(H,20,23)
InChIKeyFLEJODWHGLWDPC-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.85
Rot. Bonds4

About N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide

N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide (PubChem CID 17493933) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
PubChem CID17493933
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1)C1CC1
InChIInChI=1S/C17H19N5O2S/c23-15(12-2-3-12)20-14-5-4-13(25-14)16(24)21-8-10-22(11-9-21)17-18-6-1-7-19-17/h1,4-7,12H,2-3,8-11H2,(H,20,23)
InChIKeyFLEJODWHGLWDPC-UHFFFAOYSA-N
XLogP1.85
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(piperidine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide
CID 18135424
1-phenyl-3-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]urea
CID 78846884
5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophene-2-carboxylic acid
CID 22677757
N-phenyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149397
N-[5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 86903169
(5-ethylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17249502
(5-phenylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 15950930
N-[5-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 87026330
N-[5-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 86889090
1-(5-acetamidothiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 43354183
N-[5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 18209373
N-[5-[3-(1,2,4-triazol-1-yl)piperidine-1-carbonyl]thiophen-2-yl]cyclopropanecarboxamide
CID 86893779

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide (CID 17493933) is N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide is O=C(Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)s1)C1CC1.
What is the InChIKey of N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
The InChIKey is FLEJODWHGLWDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c23-15(12-2-3-12)20-14-5-4-13(25-14)16(24)21-8-10-22(11-9-21)17-18-6-1-7-19-17/h1,4-7,12H,2-3,8-11H2,(H,20,23).
What are the key properties of N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide?
N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)thiophen-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 17493933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).