N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C15H15FN6OS — CID 154855795

IUPACN-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ncc(F)c(NC2CC(NC(=O)c3cnc4sccn34)C2)n1
InChIInChI=1S/C15H15FN6OS/c1-8-17-6-11(16)13(19-8)20-9-4-10(5-9)21-14(23)12-7-18-15-22(12)2-3-24-15/h2-3,6-7,9-10H,4-5H2,1H3,(H,21,23)(H,17,19,20)
InChIKeyFODWIJQFHNWQBG-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.01
Rot. Bonds4

About N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 154855795) has the molecular formula C15H15FN6OS and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID154855795
Molecular FormulaC15H15FN6OS
Molecular Weight346.39 g/mol
Exact Mass346.10
IUPAC NameN-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1ncc(F)c(NC2CC(NC(=O)c3cnc4sccn34)C2)n1
InChIInChI=1S/C15H15FN6OS/c1-8-17-6-11(16)13(19-8)20-9-4-10(5-9)21-14(23)12-7-18-15-22(12)2-3-24-15/h2-3,6-7,9-10H,4-5H2,1H3,(H,21,23)(H,17,19,20)
InChIKeyFODWIJQFHNWQBG-UHFFFAOYSA-N
XLogP2.01
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 154855795) is N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1ncc(F)c(NC2CC(NC(=O)c3cnc4sccn34)C2)n1.
What is the InChIKey of N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is FODWIJQFHNWQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN6OS/c1-8-17-6-11(16)13(19-8)20-9-4-10(5-9)21-14(23)12-7-18-15-22(12)2-3-24-15/h2-3,6-7,9-10H,4-5H2,1H3,(H,21,23)(H,17,19,20).
What are the key properties of N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-fluoro-2-methylpyrimidin-4-yl)amino]cyclobutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 154855795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).