N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide

C18H17BrN4O2S — CID 18276683

IUPACN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)ccc1=O
InChIInChI=1S/C18H17BrN4O2S/c1-3-10-23-15(24)9-8-14(22-23)17(25)21-18-20-16(11(2)26-18)12-4-6-13(19)7-5-12/h4-9H,3,10H2,1-2H3,(H,20,21,25)
InChIKeyODNFSUUQHODAPB-UHFFFAOYSA-N
MW433.33 g/mol
LogP4.10
Rot. Bonds5

About N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 18276683) has the molecular formula C18H17BrN4O2S and a molecular weight of 433.33 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID18276683
Molecular FormulaC18H17BrN4O2S
Molecular Weight433.33 g/mol
Exact Mass432.03
IUPAC NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)ccc1=O
InChIInChI=1S/C18H17BrN4O2S/c1-3-10-23-15(24)9-8-14(22-23)17(25)21-18-20-16(11(2)26-18)12-4-6-13(19)7-5-12/h4-9H,3,10H2,1-2H3,(H,20,21,25)
InChIKeyODNFSUUQHODAPB-UHFFFAOYSA-N
XLogP4.10
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 55630366
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102185
6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
CID 30729881
2-bromo-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 87665805
6-oxo-N-(5-pentyl-1,3,4-thiadiazol-2-yl)-1-propylpyridazine-3-carboxamide
CID 30730918
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26291818
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,4,5-triethoxybenzamide
CID 19211561
4-bromo-N-[4-(3,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2276030
N-(5-methyl-1H-1,2,4-triazol-3-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 78927502
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 112795427
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,3,3-trifluoropropanamide
CID 52566928
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 19211438

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 18276683) is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)ccc1=O.
What is the InChIKey of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is ODNFSUUQHODAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O2S/c1-3-10-23-15(24)9-8-14(22-23)17(25)21-18-20-16(11(2)26-18)12-4-6-13(19)7-5-12/h4-9H,3,10H2,1-2H3,(H,20,21,25).
What are the key properties of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 433.33 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 18276683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).