1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one

C21H24FN3O2S2 — CID 71800783

IUPAC1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1csc(SCC2CCN(C(=O)C3CC(=O)N(c4ccc(F)cc4)C3)CC2)n1
InChIInChI=1S/C21H24FN3O2S2/c1-14-12-28-21(23-14)29-13-15-6-8-24(9-7-15)20(27)16-10-19(26)25(11-16)18-4-2-17(22)3-5-18/h2-5,12,15-16H,6-11,13H2,1H3
InChIKeyAEZATPXXUISZTO-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.97
Rot. Bonds5

About 1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one

1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 71800783) has the molecular formula C21H24FN3O2S2 and a molecular weight of 433.57 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID71800783
Molecular FormulaC21H24FN3O2S2
Molecular Weight433.57 g/mol
Exact Mass433.13
IUPAC Name1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCc1csc(SCC2CCN(C(=O)C3CC(=O)N(c4ccc(F)cc4)C3)CC2)n1
InChIInChI=1S/C21H24FN3O2S2/c1-14-12-28-21(23-14)29-13-15-6-8-24(9-7-15)20(27)16-10-19(26)25(11-16)18-4-2-17(22)3-5-18/h2-5,12,15-16H,6-11,13H2,1H3
InChIKeyAEZATPXXUISZTO-UHFFFAOYSA-N
XLogP3.97
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

N,N-dimethyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 138046894
(4S)-4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 41168133
(4S)-1-(4-chlorophenyl)-4-[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97105037
1-(4-fluorophenyl)-4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 23849053
N-(4-methyl-1,3-thiazol-2-yl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118731
2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid
CID 119178799
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 42569786
N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42649258
4-[4-(methylaminomethyl)piperidine-1-carbonyl]-1-(4-methylsulfanylphenyl)pyrrolidin-2-one;hydrochloride
CID 119545577
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
4-(4-benzylpiperidine-1-carbonyl)-1-(4-methylphenyl)pyrrolidin-2-one
CID 2963137

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one (CID 71800783) is 1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one is Cc1csc(SCC2CCN(C(=O)C3CC(=O)N(c4ccc(F)cc4)C3)CC2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is AEZATPXXUISZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2S2/c1-14-12-28-21(23-14)29-13-15-6-8-24(9-7-15)20(27)16-10-19(26)25(11-16)18-4-2-17(22)3-5-18/h2-5,12,15-16H,6-11,13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one?
1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 433.57 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 71800783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).