N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

C18H13FN6O3S — CID 86942134

IUPACN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)nc2n(C)c1=O
InChIInChI=1S/C18H13FN6O3S/c1-24-14-11(16(27)25(2)18(24)28)7-8-12(20-14)15(26)22-17-21-13(23-29-17)9-3-5-10(19)6-4-9/h3-8H,1-2H3,(H,21,22,23,26)
InChIKeyAKALCHLTKDIKAY-UHFFFAOYSA-N
MW412.41 g/mol
LogP1.54
Rot. Bonds3

About N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide

N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (PubChem CID 86942134) has the molecular formula C18H13FN6O3S and a molecular weight of 412.41 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
PubChem CID86942134
Molecular FormulaC18H13FN6O3S
Molecular Weight412.41 g/mol
Exact Mass412.08
IUPAC NameN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
SMILESCn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)nc2n(C)c1=O
InChIInChI=1S/C18H13FN6O3S/c1-24-14-11(16(27)25(2)18(24)28)7-8-12(20-14)15(26)22-17-21-13(23-29-17)9-3-5-10(19)6-4-9/h3-8H,1-2H3,(H,21,22,23,26)
InChIKeyAKALCHLTKDIKAY-UHFFFAOYSA-N
XLogP1.54
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 86942070
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582809
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 39299259
N-tert-butyl-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 37132946
N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55580012
N-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 30840395
N-(3-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55577042
3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 146076485
1,3-dimethyl-N-[3-(methylamino)propyl]-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide;dihydrochloride
CID 119432864
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 86942016
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 86942028
4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 86941977

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide (CID 86942134) is N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is Cn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)nc2n(C)c1=O.
What is the InChIKey of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is AKALCHLTKDIKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O3S/c1-24-14-11(16(27)25(2)18(24)28)7-8-12(20-14)15(26)22-17-21-13(23-29-17)9-3-5-10(19)6-4-9/h3-8H,1-2H3,(H,21,22,23,26).
What are the key properties of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide?
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 412.41 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 86942134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).