N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide

C16H24FN3OS — CID 165432180

IUPACN-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1nc(C)c(CN2CCC(F)(CNC(=O)C3CC3)CC2)s1
InChIInChI=1S/C16H24FN3OS/c1-11-14(22-12(2)19-11)9-20-7-5-16(17,6-8-20)10-18-15(21)13-3-4-13/h13H,3-10H2,1-2H3,(H,18,21)
InChIKeyBNBUKGWCCJFWTD-UHFFFAOYSA-N
MW325.45 g/mol
LogP2.59
Rot. Bonds5

About N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 165432180) has the molecular formula C16H24FN3OS and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID165432180
Molecular FormulaC16H24FN3OS
Molecular Weight325.45 g/mol
Exact Mass325.16
IUPAC NameN-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1nc(C)c(CN2CCC(F)(CNC(=O)C3CC3)CC2)s1
InChIInChI=1S/C16H24FN3OS/c1-11-14(22-12(2)19-11)9-20-7-5-16(17,6-8-20)10-18-15(21)13-3-4-13/h13H,3-10H2,1-2H3,(H,18,21)
InChIKeyBNBUKGWCCJFWTD-UHFFFAOYSA-N
XLogP2.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide (CID 165432180) is N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide is Cc1nc(C)c(CN2CCC(F)(CNC(=O)C3CC3)CC2)s1.
What is the InChIKey of N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is BNBUKGWCCJFWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3OS/c1-11-14(22-12(2)19-11)9-20-7-5-16(17,6-8-20)10-18-15(21)13-3-4-13/h13H,3-10H2,1-2H3,(H,18,21).
What are the key properties of N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 325.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 165432180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).