(4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide

C15H22N2O3S — CID 95330439

IUPAC(4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1occc1CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C
InChIInChI=1S/C15H22N2O3S/c1-10-11(5-6-20-10)7-16-13(18)12-8-21-9-17(12)14(19)15(2,3)4/h5-6,12H,7-9H2,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyGPXDUGOYIITHDR-GFCCVEGCSA-N
MW310.42 g/mol
LogP2.15
Rot. Bonds3

About (4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95330439) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is (4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95330439
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name(4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1occc1CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C
InChIInChI=1S/C15H22N2O3S/c1-10-11(5-6-20-10)7-16-13(18)12-8-21-9-17(12)14(19)15(2,3)4/h5-6,12H,7-9H2,1-4H3,(H,16,18)/t12-/m1/s1
InChIKeyGPXDUGOYIITHDR-GFCCVEGCSA-N
XLogP2.15
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide (CID 95330439) is (4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide is Cc1occc1CNC(=O)[C@H]1CSCN1C(=O)C(C)(C)C.
What is the InChIKey of (4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is GPXDUGOYIITHDR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-11(5-6-20-10)7-16-13(18)12-8-21-9-17(12)14(19)15(2,3)4/h5-6,12H,7-9H2,1-4H3,(H,16,18)/t12-/m1/s1.
What are the key properties of (4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95330439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).