N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide

C18H21FN4OS — CID 50841148

IUPACN-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
SMILESCC1CCCN(c2cc(SCC(=O)Nc3ccc(F)cc3)ncn2)C1
InChIInChI=1S/C18H21FN4OS/c1-13-3-2-8-23(10-13)16-9-18(21-12-20-16)25-11-17(24)22-15-6-4-14(19)5-7-15/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,22,24)
InChIKeyZLBAIKHAXXZQMC-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.58
Rot. Bonds5

About N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide

N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide (PubChem CID 50841148) has the molecular formula C18H21FN4OS and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
PubChem CID50841148
Molecular FormulaC18H21FN4OS
Molecular Weight360.46 g/mol
Exact Mass360.14
IUPAC NameN-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide
SMILESCC1CCCN(c2cc(SCC(=O)Nc3ccc(F)cc3)ncn2)C1
InChIInChI=1S/C18H21FN4OS/c1-13-3-2-8-23(10-13)16-9-18(21-12-20-16)25-11-17(24)22-15-6-4-14(19)5-7-15/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,22,24)
InChIKeyZLBAIKHAXXZQMC-UHFFFAOYSA-N
XLogP3.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide (CID 50841148) is N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide is CC1CCCN(c2cc(SCC(=O)Nc3ccc(F)cc3)ncn2)C1.
What is the InChIKey of N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
The InChIKey is ZLBAIKHAXXZQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4OS/c1-13-3-2-8-23(10-13)16-9-18(21-12-20-16)25-11-17(24)22-15-6-4-14(19)5-7-15/h4-7,9,12-13H,2-3,8,10-11H2,1H3,(H,22,24).
What are the key properties of N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide?
N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide has a molecular weight of 360.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 50841148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).