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

C16H14FN5O2S2 — CID 7162144

IUPAC2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN5O2S2/c1-9-7-25-15(19-9)20-14(24)8-26-16-21-13(23)6-12(18)22(16)11-4-2-10(17)3-5-11/h2-7H,8,18H2,1H3,(H,19,20,24)
InChIKeyJXTURHUEABAPAJ-UHFFFAOYSA-N
MW391.45 g/mol
LogP2.45
Rot. Bonds5

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

2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 7162144) has the molecular formula C16H14FN5O2S2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID7162144
Molecular FormulaC16H14FN5O2S2
Molecular Weight391.45 g/mol
Exact Mass391.06
IUPAC Name2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN5O2S2/c1-9-7-25-15(19-9)20-14(24)8-26-16-21-13(23)6-12(18)22(16)11-4-2-10(17)3-5-11/h2-7H,8,18H2,1H3,(H,19,20,24)
InChIKeyJXTURHUEABAPAJ-UHFFFAOYSA-N
XLogP2.45
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-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-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 7162144) is 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is JXTURHUEABAPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O2S2/c1-9-7-25-15(19-9)20-14(24)8-26-16-21-13(23)6-12(18)22(16)11-4-2-10(17)3-5-11/h2-7H,8,18H2,1H3,(H,19,20,24).
What are the key properties of 2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[6-amino-1-(4-fluorophenyl)-4-oxopyrimidin-2-yl]sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 391.45 g/mol, XLogP of 2.45, 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-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 7162144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).