N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H13FN4O2S — CID 51329819

IUPACN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1sc(NC(=O)c2cnc3ccccn3c2=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H13FN4O2S/c1-11-16(12-5-7-13(20)8-6-12)22-19(27-11)23-17(25)14-10-21-15-4-2-3-9-24(15)18(14)26/h2-10H,1H3,(H,22,23,25)
InChIKeyBXDJQAAPEKNXMD-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.52
Rot. Bonds3

About N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 51329819) has the molecular formula C19H13FN4O2S and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID51329819
Molecular FormulaC19H13FN4O2S
Molecular Weight380.40 g/mol
Exact Mass380.07
IUPAC NameN-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1sc(NC(=O)c2cnc3ccccn3c2=O)nc1-c1ccc(F)cc1
InChIInChI=1S/C19H13FN4O2S/c1-11-16(12-5-7-13(20)8-6-12)22-19(27-11)23-17(25)14-10-21-15-4-2-3-9-24(15)18(14)26/h2-10H,1H3,(H,22,23,25)
InChIKeyBXDJQAAPEKNXMD-UHFFFAOYSA-N
XLogP3.52
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 51329819) is N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1sc(NC(=O)c2cnc3ccccn3c2=O)nc1-c1ccc(F)cc1.
What is the InChIKey of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is BXDJQAAPEKNXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2S/c1-11-16(12-5-7-13(20)8-6-12)22-19(27-11)23-17(25)14-10-21-15-4-2-3-9-24(15)18(14)26/h2-10H,1H3,(H,22,23,25).
What are the key properties of N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 51329819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).