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

C24H29N3O3S — CID 42745001

IUPACN-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CSC(c2ccoc2)N1C(=O)C1CC1
InChIInChI=1S/C24H29N3O3S/c28-22(25-20-8-11-26(12-9-20)14-17-4-2-1-3-5-17)21-16-31-24(19-10-13-30-15-19)27(21)23(29)18-6-7-18/h1-5,10,13,15,18,20-21,24H,6-9,11-12,14,16H2,(H,25,28)
InChIKeyCVANBBZGMUSPNM-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.41
Rot. Bonds6

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

N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42745001) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
PubChem CID42745001
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)C1CSC(c2ccoc2)N1C(=O)C1CC1
InChIInChI=1S/C24H29N3O3S/c28-22(25-20-8-11-26(12-9-20)14-17-4-2-1-3-5-17)21-16-31-24(19-10-13-30-15-19)27(21)23(29)18-6-7-18/h1-5,10,13,15,18,20-21,24H,6-9,11-12,14,16H2,(H,25,28)
InChIKeyCVANBBZGMUSPNM-UHFFFAOYSA-N
XLogP3.41
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-3-(4-fluorobenzoyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42745135
(2S,4R)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxylic acid
CID 809599
N-(1-benzylpiperidin-4-yl)-2-(3-fluorophenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 42748547
N-(1-benzylpiperidin-4-yl)-3-(4-chlorobenzoyl)-2-(4-phenylmethoxyphenyl)-1,3-thiazolidine-4-carboxamide
CID 3907010
N-(1-benzylpiperidin-4-yl)-2-(4-tert-butylphenyl)-3-(4-fluorobenzoyl)-1,3-thiazolidine-4-carboxamide
CID 3439892
3-acetyl-N-benzyl-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide
CID 42744957
N-(1-benzylpiperidin-4-yl)-3-(4-tert-butylbenzoyl)-2-(3-fluorophenyl)-1,3-thiazolidine-4-carboxamide
CID 3591486
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-2-ethyl-3-(4-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42749276
N-(1-benzylpiperidin-4-yl)-3-(2-chlorobenzoyl)-2-pentyl-1,3-thiazolidine-4-carboxamide
CID 4637317
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide (CID 42745001) is N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)C1CSC(c2ccoc2)N1C(=O)C1CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is CVANBBZGMUSPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c28-22(25-20-8-11-26(12-9-20)14-17-4-2-1-3-5-17)21-16-31-24(19-10-13-30-15-19)27(21)23(29)18-6-7-18/h1-5,10,13,15,18,20-21,24H,6-9,11-12,14,16H2,(H,25,28).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 439.58 g/mol, XLogP of 3.41, 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-(cyclopropanecarbonyl)-2-(furan-3-yl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42745001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).