N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide

C18H21F2N3OS — CID 48594820

IUPACN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)s1
InChIInChI=1S/C18H21F2N3OS/c1-2-17-21-10-16(25-17)18(24)22-13-5-7-23(8-6-13)11-12-3-4-14(19)15(20)9-12/h3-4,9-10,13H,2,5-8,11H2,1H3,(H,22,24)
InChIKeyWTPIYJIVYFUIOE-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.38
Rot. Bonds5

About N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide

N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide (PubChem CID 48594820) has the molecular formula C18H21F2N3OS and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide
PubChem CID48594820
Molecular FormulaC18H21F2N3OS
Molecular Weight365.45 g/mol
Exact Mass365.14
IUPAC NameN-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)s1
InChIInChI=1S/C18H21F2N3OS/c1-2-17-21-10-16(25-17)18(24)22-13-5-7-23(8-6-13)11-12-3-4-14(19)15(20)9-12/h3-4,9-10,13H,2,5-8,11H2,1H3,(H,22,24)
InChIKeyWTPIYJIVYFUIOE-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide (CID 48594820) is N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)s1.
What is the InChIKey of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide?
The InChIKey is WTPIYJIVYFUIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3OS/c1-2-17-21-10-16(25-17)18(24)22-13-5-7-23(8-6-13)11-12-3-4-14(19)15(20)9-12/h3-4,9-10,13H,2,5-8,11H2,1H3,(H,22,24).
What are the key properties of N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide?
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2-ethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48594820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).