(2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone

C18H18F2N2O2S — CID 24791705

IUPAC(2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(C(=O)c3cc(F)ccc3F)C2)s1
InChIInChI=1S/C18H18F2N2O2S/c1-10-17(25-11(2)21-10)18(24)22-7-3-4-12(9-22)16(23)14-8-13(19)5-6-15(14)20/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyCNNPUZXPRBCDRT-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.77
Rot. Bonds3

About (2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone

(2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone (PubChem CID 24791705) has the molecular formula C18H18F2N2O2S and a molecular weight of 364.42 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
PubChem CID24791705
Molecular FormulaC18H18F2N2O2S
Molecular Weight364.42 g/mol
Exact Mass364.11
IUPAC Name(2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(C(=O)c3cc(F)ccc3F)C2)s1
InChIInChI=1S/C18H18F2N2O2S/c1-10-17(25-11(2)21-10)18(24)22-7-3-4-12(9-22)16(23)14-8-13(19)5-6-15(14)20/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyCNNPUZXPRBCDRT-UHFFFAOYSA-N
XLogP3.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone (CID 24791705) is (2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone is Cc1nc(C)c(C(=O)N2CCCC(C(=O)c3cc(F)ccc3F)C2)s1.
What is the InChIKey of (2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone?
The InChIKey is CNNPUZXPRBCDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2S/c1-10-17(25-11(2)21-10)18(24)22-7-3-4-12(9-22)16(23)14-8-13(19)5-6-15(14)20/h5-6,8,12H,3-4,7,9H2,1-2H3.
What are the key properties of (2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone?
(2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone has a molecular weight of 364.42 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 24791705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).