N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C18H20F2N6OS — CID 142415443

IUPACN-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(c3cc(C(F)F)n4ccnc4n3)C2)s1
InChIInChI=1S/C18H20F2N6OS/c1-11(27)23-18-22-8-13(28-18)10-25-5-2-3-12(9-25)14-7-15(16(19)20)26-6-4-21-17(26)24-14/h4,6-8,12,16H,2-3,5,9-10H2,1H3,(H,22,23,27)
InChIKeyFVYMKQDMZFVXFV-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.46
Rot. Bonds5

About N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415443) has the molecular formula C18H20F2N6OS and a molecular weight of 406.46 g/mol. Its IUPAC name is N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415443
Molecular FormulaC18H20F2N6OS
Molecular Weight406.46 g/mol
Exact Mass406.14
IUPAC NameN-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCCC(c3cc(C(F)F)n4ccnc4n3)C2)s1
InChIInChI=1S/C18H20F2N6OS/c1-11(27)23-18-22-8-13(28-18)10-25-5-2-3-12(9-25)14-7-15(16(19)20)26-6-4-21-17(26)24-14/h4,6-8,12,16H,2-3,5,9-10H2,1H3,(H,22,23,27)
InChIKeyFVYMKQDMZFVXFV-UHFFFAOYSA-N
XLogP3.46
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415443) is N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCCC(c3cc(C(F)F)n4ccnc4n3)C2)s1.
What is the InChIKey of N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FVYMKQDMZFVXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6OS/c1-11(27)23-18-22-8-13(28-18)10-25-5-2-3-12(9-25)14-7-15(16(19)20)26-6-4-21-17(26)24-14/h4,6-8,12,16H,2-3,5,9-10H2,1H3,(H,22,23,27).
What are the key properties of N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 406.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[5-(difluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).