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

C16H19N5O3S — CID 6467463

IUPACmethyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19N5O3S/c1-24-15(23)12-3-10-25-14(12)19-13(22)11-20-6-8-21(9-7-20)16-17-4-2-5-18-16/h2-5,10H,6-9,11H2,1H3,(H,19,22)
InChIKeyYFXDFHHXUJPMLM-UHFFFAOYSA-N
MW361.43 g/mol
LogP1.09
Rot. Bonds5

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

methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 6467463) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID6467463
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Namemethyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H19N5O3S/c1-24-15(23)12-3-10-25-14(12)19-13(22)11-20-6-8-21(9-7-20)16-17-4-2-5-18-16/h2-5,10H,6-9,11H2,1H3,(H,19,22)
InChIKeyYFXDFHHXUJPMLM-UHFFFAOYSA-N
XLogP1.09
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate (CID 6467463) is methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is YFXDFHHXUJPMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-24-15(23)12-3-10-25-14(12)19-13(22)11-20-6-8-21(9-7-20)16-17-4-2-5-18-16/h2-5,10H,6-9,11H2,1H3,(H,19,22).
What are the key properties of methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate?
methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 361.43 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 6467463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).