N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride

C18H23ClFN3O2S — CID 120589563

IUPACN-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)CCNCC1.Cl
InChIInChI=1S/C18H22FN3O2S.ClH/c1-12-15(11-13-5-3-4-6-14(13)19)25-17(21-12)22-16(23)18(24-2)7-9-20-10-8-18;/h3-6,20H,7-11H2,1-2H3,(H,21,22,23);1H
InChIKeyDZIGERZZXVYIIR-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.31
Rot. Bonds5

About N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride

N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 120589563) has the molecular formula C18H23ClFN3O2S and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID120589563
Molecular FormulaC18H23ClFN3O2S
Molecular Weight399.92 g/mol
Exact Mass399.12
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)CCNCC1.Cl
InChIInChI=1S/C18H22FN3O2S.ClH/c1-12-15(11-13-5-3-4-6-14(13)19)25-17(21-12)22-16(23)18(24-2)7-9-20-10-8-18;/h3-6,20H,7-11H2,1-2H3,(H,21,22,23);1H
InChIKeyDZIGERZZXVYIIR-UHFFFAOYSA-N
XLogP3.31
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 120589491
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120589562
4-methoxy-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119681507
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119679205
4-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119670233
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiomorpholin-3-ylacetamide
CID 119937303
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-thiophen-3-ylacetamide
CID 112846123
2-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]pentanamide
CID 119297267
3-amino-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 119737894
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71938657
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
4-bromo-N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564681

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 120589563) is N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2nc(C)c(Cc3ccccc3F)s2)CCNCC1.Cl.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is DZIGERZZXVYIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S.ClH/c1-12-15(11-13-5-3-4-6-14(13)19)25-17(21-12)22-16(23)18(24-2)7-9-20-10-8-18;/h3-6,20H,7-11H2,1-2H3,(H,21,22,23);1H.
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 399.92 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120589563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).