N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide

C27H28FN3O3S — CID 42745135

IUPACN-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C27H28FN3O3S/c28-22-8-6-20(7-9-22)26(33)31-24(18-35-27(31)21-12-15-34-17-21)25(32)29-23-10-13-30(14-11-23)16-19-4-2-1-3-5-19/h1-9,12,15,17,23-24,27H,10-11,13-14,16,18H2,(H,29,32)
InChIKeyMMKPFODAUUIEME-UHFFFAOYSA-N
MW493.60 g/mol
LogP4.46
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745135) has the molecular formula C27H28FN3O3S and a molecular weight of 493.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745135
Molecular FormulaC27H28FN3O3S
Molecular Weight493.60 g/mol
Exact Mass493.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C27H28FN3O3S/c28-22-8-6-20(7-9-22)26(33)31-24(18-35-27(31)21-12-15-34-17-21)25(32)29-23-10-13-30(14-11-23)16-19-4-2-1-3-5-19/h1-9,12,15,17,23-24,27H,10-11,13-14,16,18H2,(H,29,32)
InChIKeyMMKPFODAUUIEME-UHFFFAOYSA-N
XLogP4.46
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(4-tert-butylphenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3439892
N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745001
N-(1-benzylpiperidin-4-yl)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3591486
N-(1-benzylpiperidin-4-yl)-3-(4-chlorobenzoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 3907010
(2R,4S)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809627
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42745136
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 42745146
N-(1-benzylpiperidin-4-yl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 42748547
N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749276
N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methoxybenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749237
3-(4-fluorobenzoyl)-2-(furan-3-yl)-N-(3-methoxypropyl)-1,3-thiazolidine-4-carboxamide
CID 42745149
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide (CID 42745135) is N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CSC(c2ccoc2)N1C(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MMKPFODAUUIEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O3S/c28-22-8-6-20(7-9-22)26(33)31-24(18-35-27(31)21-12-15-34-17-21)25(32)29-23-10-13-30(14-11-23)16-19-4-2-1-3-5-19/h1-9,12,15,17,23-24,27H,10-11,13-14,16,18H2,(H,29,32).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 493.60 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).