(4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide

C13H24N2O3S — CID 95145718

IUPAC(4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)CC
InChIInChI=1S/C13H24N2O3S/c1-5-9(3)14-12(16)11-7-19-8-15(11)13(17)10(4)18-6-2/h9-11H,5-8H2,1-4H3,(H,14,16)/t9-,10-,11-/m1/s1
InChIKeyFGEGUMAQYNBWES-GMTAPVOTSA-N
MW288.41 g/mol
LogP1.23
Rot. Bonds6

About (4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide

(4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95145718) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is (4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95145718
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name(4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide
SMILESCCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)CC
InChIInChI=1S/C13H24N2O3S/c1-5-9(3)14-12(16)11-7-19-8-15(11)13(17)10(4)18-6-2/h9-11H,5-8H2,1-4H3,(H,14,16)/t9-,10-,11-/m1/s1
InChIKeyFGEGUMAQYNBWES-GMTAPVOTSA-N
XLogP1.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-[(2E,4E)-hexa-2,4-dienoyl]-1,3-thiazolidine-4-carboxamide
CID 60609338
(4R)-N-[(2S)-butan-2-yl]-3-(4-tert-butylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 93041089
N-butan-2-yl-3-(4-phenylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 60609336
(4S)-3-(5-bromofuran-2-carbonyl)-N-[(2S)-butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 97315914
(4R)-N-[(2S)-butan-2-yl]-3-cyclopropylsulfonyl-1,3-thiazolidine-4-carboxamide
CID 99599466
N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120508830
N-butan-2-yl-3-(3-methylbenzoyl)-1,3-thiazolidine-4-carboxamide
CID 42745328
(4S)-N-(3-ethoxypropyl)-3-[(2R)-2-methylbutanoyl]-1,3-thiazolidine-4-carboxamide
CID 94822473
2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119225257
N-butan-2-yl-3-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60609283
(4R)-N-[(2R)-butan-2-yl]-3-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 97215376
N-butan-2-yl-3-[(E)-3-(2-nitrophenyl)prop-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 60608939

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide (CID 95145718) is (4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide is CCO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)CC.
What is the InChIKey of (4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is FGEGUMAQYNBWES-GMTAPVOTSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-5-9(3)14-12(16)11-7-19-8-15(11)13(17)10(4)18-6-2/h9-11H,5-8H2,1-4H3,(H,14,16)/t9-,10-,11-/m1/s1.
What are the key properties of (4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide?
(4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2R)-butan-2-yl]-3-[(2R)-2-ethoxypropanoyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95145718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).