N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C14H9BrFN3O2S — CID 4124208

IUPACN-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)Nc3ccc(Br)cc3F)c(=O)n12
InChIInChI=1S/C14H9BrFN3O2S/c1-7-6-22-14-17-5-9(13(21)19(7)14)12(20)18-11-3-2-8(15)4-10(11)16/h2-6H,1H3,(H,18,20)
InChIKeyRMDUKKVTWXGDCS-UHFFFAOYSA-N
MW382.21 g/mol
LogP3.22
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 4124208) has the molecular formula C14H9BrFN3O2S and a molecular weight of 382.21 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID4124208
Molecular FormulaC14H9BrFN3O2S
Molecular Weight382.21 g/mol
Exact Mass380.96
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1csc2ncc(C(=O)Nc3ccc(Br)cc3F)c(=O)n12
InChIInChI=1S/C14H9BrFN3O2S/c1-7-6-22-14-17-5-9(13(21)19(7)14)12(20)18-11-3-2-8(15)4-10(11)16/h2-6H,1H3,(H,18,20)
InChIKeyRMDUKKVTWXGDCS-UHFFFAOYSA-N
XLogP3.22
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 4124208) is N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1csc2ncc(C(=O)Nc3ccc(Br)cc3F)c(=O)n12.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is RMDUKKVTWXGDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFN3O2S/c1-7-6-22-14-17-5-9(13(21)19(7)14)12(20)18-11-3-2-8(15)4-10(11)16/h2-6H,1H3,(H,18,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 382.21 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 4124208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).