N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide

C18H18FN5OS — CID 9338265

IUPACN-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncnc3sccc23)CC1)Nc1cccc(F)c1
InChIInChI=1S/C18H18FN5OS/c19-13-2-1-3-14(10-13)22-16(25)11-23-5-7-24(8-6-23)17-15-4-9-26-18(15)21-12-20-17/h1-4,9-10,12H,5-8,11H2,(H,22,25)
InChIKeyOOUOHSIEXXFUOC-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.59
Rot. Bonds4

About N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide

N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (PubChem CID 9338265) has the molecular formula C18H18FN5OS and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
PubChem CID9338265
Molecular FormulaC18H18FN5OS
Molecular Weight371.44 g/mol
Exact Mass371.12
IUPAC NameN-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ncnc3sccc23)CC1)Nc1cccc(F)c1
InChIInChI=1S/C18H18FN5OS/c19-13-2-1-3-14(10-13)22-16(25)11-23-5-7-24(8-6-23)17-15-4-9-26-18(15)21-12-20-17/h1-4,9-10,12H,5-8,11H2,(H,22,25)
InChIKeyOOUOHSIEXXFUOC-UHFFFAOYSA-N
XLogP2.59
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide (CID 9338265) is N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ncnc3sccc23)CC1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
The InChIKey is OOUOHSIEXXFUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5OS/c19-13-2-1-3-14(10-13)22-16(25)11-23-5-7-24(8-6-23)17-15-4-9-26-18(15)21-12-20-17/h1-4,9-10,12H,5-8,11H2,(H,22,25).
What are the key properties of N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide?
N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 9338265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).