N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide

C18H20F3N3O4S — CID 25052479

IUPACN-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide
SMILESCOc1c(OC2CCN(C(=O)Nc3nc(CCO)cs3)CC2)cc(F)c(F)c1F
InChIInChI=1S/C18H20F3N3O4S/c1-27-16-13(8-12(19)14(20)15(16)21)28-11-2-5-24(6-3-11)18(26)23-17-22-10(4-7-25)9-29-17/h8-9,11,25H,2-7H2,1H3,(H,22,23,26)
InChIKeyRFKUQYBPPOBNIJ-UHFFFAOYSA-N
MW431.44 g/mol
LogP3.18
Rot. Bonds6

About N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide

N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide (PubChem CID 25052479) has the molecular formula C18H20F3N3O4S and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide
PubChem CID25052479
Molecular FormulaC18H20F3N3O4S
Molecular Weight431.44 g/mol
Exact Mass431.11
IUPAC NameN-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide
SMILESCOc1c(OC2CCN(C(=O)Nc3nc(CCO)cs3)CC2)cc(F)c(F)c1F
InChIInChI=1S/C18H20F3N3O4S/c1-27-16-13(8-12(19)14(20)15(16)21)28-11-2-5-24(6-3-11)18(26)23-17-22-10(4-7-25)9-29-17/h8-9,11,25H,2-7H2,1H3,(H,22,23,26)
InChIKeyRFKUQYBPPOBNIJ-UHFFFAOYSA-N
XLogP3.18
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-hydroxypropyl)-1,3-thiazol-2-yl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 25052545
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
(3S)-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxamide
CID 25052480
1-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085919
N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)piperidine-1-carboxamide
CID 19762454
4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655746
N-(4-methyl-1,3-thiazol-2-yl)-4-(3-propan-2-ylphenoxy)piperidine-1-carboxamide
CID 25052527
4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 86986741
N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
CID 90616960
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30186058
4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
(2R)-2-cyclobutyl-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
CID 96999732

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide (CID 25052479) is N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide is COc1c(OC2CCN(C(=O)Nc3nc(CCO)cs3)CC2)cc(F)c(F)c1F.
What is the InChIKey of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide?
The InChIKey is RFKUQYBPPOBNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N3O4S/c1-27-16-13(8-12(19)14(20)15(16)21)28-11-2-5-24(6-3-11)18(26)23-17-22-10(4-7-25)9-29-17/h8-9,11,25H,2-7H2,1H3,(H,22,23,26).
What are the key properties of N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide?
N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide has a molecular weight of 431.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)-1,3-thiazol-2-yl]-4-(3,4,5-trifluoro-2-methoxyphenoxy)piperidine-1-carboxamide is sourced from PubChem (CID 25052479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).