2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide

C15H18N6O2S — CID 8543178

IUPAC2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H18N6O2S/c16-13(23)11-2-9-24-14(11)19-12(22)10-20-5-7-21(8-6-20)15-17-3-1-4-18-15/h1-4,9H,5-8,10H2,(H2,16,23)(H,19,22)
InChIKeyWZMDLGIUGXPCRW-UHFFFAOYSA-N
MW346.42 g/mol
LogP0.40
Rot. Bonds5

About 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide

2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide (PubChem CID 8543178) has the molecular formula C15H18N6O2S and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide
PubChem CID8543178
Molecular FormulaC15H18N6O2S
Molecular Weight346.42 g/mol
Exact Mass346.12
IUPAC Name2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide
SMILESNC(=O)c1ccsc1NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H18N6O2S/c16-13(23)11-2-9-24-14(11)19-12(22)10-20-5-7-21(8-6-20)15-17-3-1-4-18-15/h1-4,9H,5-8,10H2,(H2,16,23)(H,19,22)
InChIKeyWZMDLGIUGXPCRW-UHFFFAOYSA-N
XLogP0.40
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

CID 10453825
CID 10453825
CID 2815560
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CID 6467463
CID 6467463
CID 72855573
CID 72855573
CID 19881076
CID 19881076
CID 49687694
CID 49687694
CID 53164631
CID 53164631
CID 53164680
CID 53164680
CID 53185771
CID 53185771
CID 57469842
CID 57469842
CID 41673569
CID 41673569
CID 56740516
CID 56740516

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide (CID 8543178) is 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide is NC(=O)c1ccsc1NC(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide?
The InChIKey is WZMDLGIUGXPCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2S/c16-13(23)11-2-9-24-14(11)19-12(22)10-20-5-7-21(8-6-20)15-17-3-1-4-18-15/h1-4,9H,5-8,10H2,(H2,16,23)(H,19,22).
What are the key properties of 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide?
2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide has a molecular weight of 346.42 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 8543178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).