N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide

C18H22FN3OS2 — CID 71800814

IUPACN-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
SMILESCc1csc(SCC2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN3OS2/c1-13-11-24-18(21-13)25-12-15-6-8-22(9-7-15)17(23)20-10-14-2-4-16(19)5-3-14/h2-5,11,15H,6-10,12H2,1H3,(H,20,23)
InChIKeyCISJMZBZMNCVGE-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.30
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide (PubChem CID 71800814) has the molecular formula C18H22FN3OS2 and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
PubChem CID71800814
Molecular FormulaC18H22FN3OS2
Molecular Weight379.53 g/mol
Exact Mass379.12
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
SMILESCc1csc(SCC2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C18H22FN3OS2/c1-13-11-24-18(21-13)25-12-15-6-8-22(9-7-15)17(23)20-10-14-2-4-16(19)5-3-14/h2-5,11,15H,6-10,12H2,1H3,(H,20,23)
InChIKeyCISJMZBZMNCVGE-UHFFFAOYSA-N
XLogP4.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 71800806
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 138046894
1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 71800783
1-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 71800793
2-[[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]methylsulfanyl]-4-methyl-1,3-thiazole
CID 71800826
2-[(1-cyclopropylsulfonylpiperidin-4-yl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 71800825
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide
CID 71800731
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
(3R)-N-[(4-fluorophenyl)methyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126425242
4-[(4-fluorophenyl)-(4-methylphenyl)methyl]-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 170231425
ethyl 4-[4-[(4-fluorophenyl)methylcarbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113107632
N-[(4-fluorophenyl)methyl]-4-[(2-phenylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494541

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide (CID 71800814) is N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide is Cc1csc(SCC2CCN(C(=O)NCc3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
The InChIKey is CISJMZBZMNCVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3OS2/c1-13-11-24-18(21-13)25-12-15-6-8-22(9-7-15)17(23)20-10-14-2-4-16(19)5-3-14/h2-5,11,15H,6-10,12H2,1H3,(H,20,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide is sourced from PubChem (CID 71800814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).