2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C16H14FN5O3S — CID 7162142

IUPAC2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccc(F)cc2)no1
InChIInChI=1S/C16H14FN5O3S/c1-9-6-13(21-25-9)19-15(24)8-26-16-20-14(23)7-12(18)22(16)11-4-2-10(17)3-5-11/h2-7H,8,18H2,1H3,(H,19,21,24)
InChIKeyTURXJIFBSJUMBI-UHFFFAOYSA-N
MW375.39 g/mol
LogP1.98
Rot. Bonds5

About 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 7162142) has the molecular formula C16H14FN5O3S and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID7162142
Molecular FormulaC16H14FN5O3S
Molecular Weight375.39 g/mol
Exact Mass375.08
IUPAC Name2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccc(F)cc2)no1
InChIInChI=1S/C16H14FN5O3S/c1-9-6-13(21-25-9)19-15(24)8-26-16-20-14(23)7-12(18)22(16)11-4-2-10(17)3-5-11/h2-7H,8,18H2,1H3,(H,19,21,24)
InChIKeyTURXJIFBSJUMBI-UHFFFAOYSA-N
XLogP1.98
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide 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 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 7162142) is 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccc(F)cc2)no1.
What is the InChIKey of 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is TURXJIFBSJUMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3S/c1-9-6-13(21-25-9)19-15(24)8-26-16-20-14(23)7-12(18)22(16)11-4-2-10(17)3-5-11/h2-7H,8,18H2,1H3,(H,19,21,24).
What are the key properties of 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 375.39 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 7162142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).