(4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide

C14H20N2O3S — CID 95274262

IUPAC(4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1ccoc1
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)13(18)16-9-20-8-11(16)12(17)15-6-10-4-5-19-7-10/h4-5,7,11H,6,8-9H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeyXHUAPQFVTXARSP-NSHDSACASA-N
MW296.39 g/mol
LogP1.84
Rot. Bonds3

About (4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide

(4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95274262) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is (4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95274262
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name(4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1ccoc1
InChIInChI=1S/C14H20N2O3S/c1-14(2,3)13(18)16-9-20-8-11(16)12(17)15-6-10-4-5-19-7-10/h4-5,7,11H,6,8-9H2,1-3H3,(H,15,17)/t11-/m0/s1
InChIKeyXHUAPQFVTXARSP-NSHDSACASA-N
XLogP1.84
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-3-(2,2-dimethylpropanoyl)-N-[(2-methylfuran-3-yl)methyl]-1,3-thiazolidine-4-carboxamide
CID 95330439
N-benzyl-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 42749079
(4S)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95309616
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95273657
3-(2,2-dimethylpropanoyl)-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120826760
(4S)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95383466
(4R)-N-[(3-cyanophenyl)methyl]-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide
CID 95292753
(4S)-3-(2,2-dimethylpropanoyl)-N-[3-(4-methylpyrazol-1-yl)propyl]-1,3-thiazolidine-4-carboxamide
CID 95330465
(4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 95332286
N-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylpropanoyl)-1,3-thiazolidine-4-carboxamide
CID 42744627
tert-butyl N-(furan-3-ylmethyl)carbamate
CID 45091890
N-(6-amino-3-pyridinyl)-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119515776

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide (CID 95274262) is (4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1ccoc1.
What is the InChIKey of (4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is XHUAPQFVTXARSP-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-14(2,3)13(18)16-9-20-8-11(16)12(17)15-6-10-4-5-19-7-10/h4-5,7,11H,6,8-9H2,1-3H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide?
(4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2,2-dimethylpropanoyl)-N-(furan-3-ylmethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95274262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).