N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

C18H20FN5O2S — CID 118018062

IUPACN-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cn3)cc(=O)n12
InChIInChI=1S/C18H20FN5O2S/c1-4-20-17(26)16-11(3)27-18-22-13(8-15(25)24(16)18)10-23(5-2)14-7-6-12(19)9-21-14/h6-9H,4-5,10H2,1-3H3,(H,20,26)
InChIKeyVNYYMZMWJYJEMT-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.37
Rot. Bonds6

About N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide

N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (PubChem CID 118018062) has the molecular formula C18H20FN5O2S and a molecular weight of 389.46 g/mol. Its IUPAC name is N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
PubChem CID118018062
Molecular FormulaC18H20FN5O2S
Molecular Weight389.46 g/mol
Exact Mass389.13
IUPAC NameN-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
SMILESCCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cn3)cc(=O)n12
InChIInChI=1S/C18H20FN5O2S/c1-4-20-17(26)16-11(3)27-18-22-13(8-15(25)24(16)18)10-23(5-2)14-7-6-12(19)9-21-14/h6-9H,4-5,10H2,1-3H3,(H,20,26)
InChIKeyVNYYMZMWJYJEMT-UHFFFAOYSA-N
XLogP2.37
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide (CID 118018062) is N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is CCNC(=O)c1c(C)sc2nc(CN(CC)c3ccc(F)cn3)cc(=O)n12.
What is the InChIKey of N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
The InChIKey is VNYYMZMWJYJEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2S/c1-4-20-17(26)16-11(3)27-18-22-13(8-15(25)24(16)18)10-23(5-2)14-7-6-12(19)9-21-14/h6-9H,4-5,10H2,1-3H3,(H,20,26).
What are the key properties of N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide?
N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-[[ethyl-(5-fluoro-2-pyridinyl)amino]methyl]-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 118018062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).