N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide

C18H22FN3O3S — CID 126784524

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCCC(OCCO)C1
InChIInChI=1S/C18H22FN3O3S/c19-14-4-1-3-13(9-14)10-16-11-20-17(26-16)21-18(24)22-6-2-5-15(12-22)25-8-7-23/h1,3-4,9,11,15,23H,2,5-8,10,12H2,(H,20,21,24)
InChIKeyMDKLULIUKMOMQG-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.88
Rot. Bonds6

About N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide (PubChem CID 126784524) has the molecular formula C18H22FN3O3S and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide
PubChem CID126784524
Molecular FormulaC18H22FN3O3S
Molecular Weight379.46 g/mol
Exact Mass379.14
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide
SMILESO=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCCC(OCCO)C1
InChIInChI=1S/C18H22FN3O3S/c19-14-4-1-3-13(9-14)10-16-11-20-17(26-16)21-18(24)22-6-2-5-15(12-22)25-8-7-23/h1,3-4,9,11,15,23H,2,5-8,10,12H2,(H,20,21,24)
InChIKeyMDKLULIUKMOMQG-UHFFFAOYSA-N
XLogP2.88
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122074687
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-hydroxycyclopentane-1-carboxamide
CID 110015330
N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide
CID 126767380
N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 126770563
2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
(2R)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-sulfamoylazetidine-2-carboxamide
CID 167327033
N-[5-[(3-fluoro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 119032325
2-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-methoxypropanamide;hydrochloride
CID 120985647
1-[[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122093544
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55614121
(3R)-N-(3-chlorophenyl)-3-[(3-fluorophenyl)methoxy]piperidine-1-carboxamide
CID 93224006
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide (CID 126784524) is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide is O=C(Nc1ncc(Cc2cccc(F)c2)s1)N1CCCC(OCCO)C1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide?
The InChIKey is MDKLULIUKMOMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3S/c19-14-4-1-3-13(9-14)10-16-11-20-17(26-16)21-18(24)22-6-2-5-15(12-22)25-8-7-23/h1,3-4,9,11,15,23H,2,5-8,10,12H2,(H,20,21,24).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(2-hydroxyethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 126784524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).