N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide

C19H15FN4O2S2 — CID 39859480

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide
SMILESCc1nc2c(-c3cccs3)nc(=O)n(CC(=O)NCc3ccc(F)cc3)c2s1
InChIInChI=1S/C19H15FN4O2S2/c1-11-22-17-16(14-3-2-8-27-14)23-19(26)24(18(17)28-11)10-15(25)21-9-12-4-6-13(20)7-5-12/h2-8H,9-10H2,1H3,(H,21,25)
InChIKeyLJYQGNIXDUTYHH-UHFFFAOYSA-N
MW414.49 g/mol
LogP3.35
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide

N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide (PubChem CID 39859480) has the molecular formula C19H15FN4O2S2 and a molecular weight of 414.49 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide
PubChem CID39859480
Molecular FormulaC19H15FN4O2S2
Molecular Weight414.49 g/mol
Exact Mass414.06
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide
SMILESCc1nc2c(-c3cccs3)nc(=O)n(CC(=O)NCc3ccc(F)cc3)c2s1
InChIInChI=1S/C19H15FN4O2S2/c1-11-22-17-16(14-3-2-8-27-14)23-19(26)24(18(17)28-11)10-15(25)21-9-12-4-6-13(20)7-5-12/h2-8H,9-10H2,1H3,(H,21,25)
InChIKeyLJYQGNIXDUTYHH-UHFFFAOYSA-N
XLogP3.35
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide (CID 39859480) is N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide is Cc1nc2c(-c3cccs3)nc(=O)n(CC(=O)NCc3ccc(F)cc3)c2s1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide?
The InChIKey is LJYQGNIXDUTYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S2/c1-11-22-17-16(14-3-2-8-27-14)23-19(26)24(18(17)28-11)10-15(25)21-9-12-4-6-13(20)7-5-12/h2-8H,9-10H2,1H3,(H,21,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide has a molecular weight of 414.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methyl-5-oxo-7-thiophen-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-4-yl)acetamide is sourced from PubChem (CID 39859480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).