5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine

C15H20FN5S — CID 139500144

IUPAC5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCCC(Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C15H20FN5S/c1-17-15-20-8-13(22-15)10-21-4-2-3-11(9-21)5-14-18-6-12(16)7-19-14/h6-8,11H,2-5,9-10H2,1H3,(H,17,20)
InChIKeyUAVNNTKBNWFWBB-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.57
Rot. Bonds5

About 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine

5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 139500144) has the molecular formula C15H20FN5S and a molecular weight of 321.43 g/mol. Its IUPAC name is 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID139500144
Molecular FormulaC15H20FN5S
Molecular Weight321.43 g/mol
Exact Mass321.14
IUPAC Name5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCCC(Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C15H20FN5S/c1-17-15-20-8-13(22-15)10-21-4-2-3-11(9-21)5-14-18-6-12(16)7-19-14/h6-8,11H,2-5,9-10H2,1H3,(H,17,20)
InChIKeyUAVNNTKBNWFWBB-UHFFFAOYSA-N
XLogP2.57
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (CID 139500144) is 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is CNc1ncc(CN2CCCC(Cc3ncc(F)cn3)C2)s1.
What is the InChIKey of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is UAVNNTKBNWFWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5S/c1-17-15-20-8-13(22-15)10-21-4-2-3-11(9-21)5-14-18-6-12(16)7-19-14/h6-8,11H,2-5,9-10H2,1H3,(H,17,20).
What are the key properties of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 321.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 139500144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).