N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

C20H24N2O3S — CID 42744889

IUPACN-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)NCc2ccccc2)N1C(=O)c1ccco1
InChIInChI=1S/C20H24N2O3S/c1-14(2)11-18-22(20(24)17-9-6-10-25-17)16(13-26-18)19(23)21-12-15-7-4-3-5-8-15/h3-10,14,16,18H,11-13H2,1-2H3,(H,21,23)
InChIKeyMBTCANBRUJFWDT-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.53
Rot. Bonds6

About N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide

N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 42744889) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
PubChem CID42744889
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)NCc2ccccc2)N1C(=O)c1ccco1
InChIInChI=1S/C20H24N2O3S/c1-14(2)11-18-22(20(24)17-9-6-10-25-17)16(13-26-18)19(23)21-12-15-7-4-3-5-8-15/h3-10,14,16,18H,11-13H2,1-2H3,(H,21,23)
InChIKeyMBTCANBRUJFWDT-UHFFFAOYSA-N
XLogP3.53
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744888
N-tert-butyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42744887
N-(furan-2-ylmethyl)-3-(2-methylpropanoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748082
3-acetyl-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744854
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745368
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 42745406
N-[(4-fluorophenyl)methyl]-3-(4-methoxybenzoyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 42748212
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(2-phenylethyl)-1,3-thiazolidine-4-carboxamide
CID 42748190
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748213
3-(2-fluorobenzoyl)-2-(2-methylpropyl)-N-propyl-1,3-thiazolidine-4-carboxamide
CID 42745397
3-(4-methoxybenzoyl)-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42748214
3-(furan-2-carbonyl)-N-(2-piperidin-1-ylethyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxamide
CID 42744800

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide (CID 42744889) is N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is CC(C)CC1SCC(C(=O)NCc2ccccc2)N1C(=O)c1ccco1.
What is the InChIKey of N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is MBTCANBRUJFWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-14(2)11-18-22(20(24)17-9-6-10-25-17)16(13-26-18)19(23)21-12-15-7-4-3-5-8-15/h3-10,14,16,18H,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide?
N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(furan-2-carbonyl)-2-(2-methylpropyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 42744889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).