N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H13BrN4O2S — CID 78848155

IUPACN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)Nc3nc(-c4cccc(Br)c4)cs3)c(=O)n2c1
InChIInChI=1S/C19H13BrN4O2S/c1-11-5-6-16-21-8-14(18(26)24(16)9-11)17(25)23-19-22-15(10-27-19)12-3-2-4-13(20)7-12/h2-10H,1H3,(H,22,23,25)
InChIKeyRWSYKUOZQLAJBJ-UHFFFAOYSA-N
MW441.31 g/mol
LogP4.14
Rot. Bonds3

About N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 78848155) has the molecular formula C19H13BrN4O2S and a molecular weight of 441.31 g/mol. Its IUPAC name is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID78848155
Molecular FormulaC19H13BrN4O2S
Molecular Weight441.31 g/mol
Exact Mass439.99
IUPAC NameN-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)Nc3nc(-c4cccc(Br)c4)cs3)c(=O)n2c1
InChIInChI=1S/C19H13BrN4O2S/c1-11-5-6-16-21-8-14(18(26)24(16)9-11)17(25)23-19-22-15(10-27-19)12-3-2-4-13(20)7-12/h2-10H,1H3,(H,22,23,25)
InChIKeyRWSYKUOZQLAJBJ-UHFFFAOYSA-N
XLogP4.14
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 78878950
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
2-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194977
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 19197485
7-methyl-4-oxo-N-phenylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 20878724
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)benzamide
CID 78775297
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
5-bromo-N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 19196356
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 1179161
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide
CID 166686948
N-(4-methyl-1,3-thiazol-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3237844
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 19195103

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 78848155) is N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)Nc3nc(-c4cccc(Br)c4)cs3)c(=O)n2c1.
What is the InChIKey of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RWSYKUOZQLAJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O2S/c1-11-5-6-16-21-8-14(18(26)24(16)9-11)17(25)23-19-22-15(10-27-19)12-3-2-4-13(20)7-12/h2-10H,1H3,(H,22,23,25).
What are the key properties of N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 441.31 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 78848155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).