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

C19H21F2N5OS — CID 162082162

IUPAC1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(CN2CCCC(c3cc(C(F)F)nc4nccn34)C2)s1
InChIInChI=1S/C19H21F2N5OS/c1-12(27)7-17-23-9-14(28-17)11-25-5-2-3-13(10-25)16-8-15(18(20)21)24-19-22-4-6-26(16)19/h4,6,8-9,13,18H,2-3,5,7,10-11H2,1H3
InChIKeyZCMFNPTVCKLIDA-UHFFFAOYSA-N
MW405.47 g/mol
LogP3.63
Rot. Bonds6

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

1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one (PubChem CID 162082162) has the molecular formula C19H21F2N5OS and a molecular weight of 405.47 g/mol. Its IUPAC name is 1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
PubChem CID162082162
Molecular FormulaC19H21F2N5OS
Molecular Weight405.47 g/mol
Exact Mass405.14
IUPAC Name1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
SMILESCC(=O)Cc1ncc(CN2CCCC(c3cc(C(F)F)nc4nccn34)C2)s1
InChIInChI=1S/C19H21F2N5OS/c1-12(27)7-17-23-9-14(28-17)11-25-5-2-3-13(10-25)16-8-15(18(20)21)24-19-22-4-6-26(16)19/h4,6,8-9,13,18H,2-3,5,7,10-11H2,1H3
InChIKeyZCMFNPTVCKLIDA-UHFFFAOYSA-N
XLogP3.63
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one with MolForge

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Related Compounds

1-[5-[[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]propan-2-one
CID 159420009
5-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]imidazo[1,2-a]pyrimidine
CID 95828115
N-[5-[[3-(1-methylpyrrolo[3,2-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415574
2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 175744244
N-[5-[[3-(imidazo[1,2-a]pyrazin-5-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415464
N-[5-[[3-[(1R)-1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 175123965
N-[5-[[(3S)-3-[1-(5-fluoropyrimidin-2-yl)ethyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 175124459
[(3S)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-1-yl]-(5,6-dimethyl-3-pyridinyl)methanone
CID 142340945
2-methyl-5-[1-[[2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-1,3,4-oxadiazole
CID 138022529
2-[5-[[3-[(2-methoxy-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 168858933
N-[5-[[3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142415604
1-[2-(1-ethylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-one
CID 115089794

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The IUPAC name of 1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one (CID 162082162) is 1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The canonical SMILES for 1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one is CC(=O)Cc1ncc(CN2CCCC(c3cc(C(F)F)nc4nccn34)C2)s1.
What is the InChIKey of 1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
The InChIKey is ZCMFNPTVCKLIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5OS/c1-12(27)7-17-23-9-14(28-17)11-25-5-2-3-13(10-25)16-8-15(18(20)21)24-19-22-4-6-26(16)19/h4,6,8-9,13,18H,2-3,5,7,10-11H2,1H3.
What are the key properties of 1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one?
1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one has a molecular weight of 405.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-[7-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propan-2-one is sourced from PubChem (CID 162082162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).