N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide

C16H15FN6OS — CID 89322607

IUPACN-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CF)c(-c2cncc(Nc3cc(C)ccn3)n2)s1
InChIInChI=1S/C16H15FN6OS/c1-9-3-4-19-13(5-9)23-14-8-18-7-12(21-14)15-11(6-17)22-16(25-15)20-10(2)24/h3-5,7-8H,6H2,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyPBUQYGLQIJIFIF-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.48
Rot. Bonds5

About N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide

N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 89322607) has the molecular formula C16H15FN6OS and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID89322607
Molecular FormulaC16H15FN6OS
Molecular Weight358.40 g/mol
Exact Mass358.10
IUPAC NameN-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CF)c(-c2cncc(Nc3cc(C)ccn3)n2)s1
InChIInChI=1S/C16H15FN6OS/c1-9-3-4-19-13(5-9)23-14-8-18-7-12(21-14)15-11(6-17)22-16(25-15)20-10(2)24/h3-5,7-8H,6H2,1-2H3,(H,19,21,23)(H,20,22,24)
InChIKeyPBUQYGLQIJIFIF-UHFFFAOYSA-N
XLogP3.48
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide (CID 89322607) is N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CF)c(-c2cncc(Nc3cc(C)ccn3)n2)s1.
What is the InChIKey of N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is PBUQYGLQIJIFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6OS/c1-9-3-4-19-13(5-9)23-14-8-18-7-12(21-14)15-11(6-17)22-16(25-15)20-10(2)24/h3-5,7-8H,6H2,1-2H3,(H,19,21,23)(H,20,22,24).
What are the key properties of N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(fluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)amino]pyrazin-2-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 89322607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).