N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide

C19H18FN3O3S — CID 10157023

IUPACN-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESC=C(C)Cn1c(=O)c(C)c2sc(C(=O)NCc3ccc(F)cc3)cn2c1=O
InChIInChI=1S/C19H18FN3O3S/c1-11(2)9-22-17(25)12(3)18-23(19(22)26)10-15(27-18)16(24)21-8-13-4-6-14(20)7-5-13/h4-7,10H,1,8-9H2,2-3H3,(H,21,24)
InChIKeyYVZSPRBXYAPLIV-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.48
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide

N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (PubChem CID 10157023) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
PubChem CID10157023
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide
SMILESC=C(C)Cn1c(=O)c(C)c2sc(C(=O)NCc3ccc(F)cc3)cn2c1=O
InChIInChI=1S/C19H18FN3O3S/c1-11(2)9-22-17(25)12(3)18-23(19(22)26)10-15(27-18)16(24)21-8-13-4-6-14(20)7-5-13/h4-7,10H,1,8-9H2,2-3H3,(H,21,24)
InChIKeyYVZSPRBXYAPLIV-UHFFFAOYSA-N
XLogP2.48
TPSA72.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide (CID 10157023) is N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is C=C(C)Cn1c(=O)c(C)c2sc(C(=O)NCc3ccc(F)cc3)cn2c1=O.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
The InChIKey is YVZSPRBXYAPLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-11(2)9-22-17(25)12(3)18-23(19(22)26)10-15(27-18)16(24)21-8-13-4-6-14(20)7-5-13/h4-7,10H,1,8-9H2,2-3H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide?
N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-8-methyl-6-(2-methylprop-2-enyl)-5,7-dioxo-[1,3]thiazolo[3,2-c]pyrimidine-2-carboxamide is sourced from PubChem (CID 10157023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).