tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate

C16H23N3O3S — CID 94821463

IUPACtert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCCc1ccccn1
InChIInChI=1S/C16H23N3O3S/c1-16(2,3)22-15(21)19-11-23-10-13(19)14(20)18-9-7-12-6-4-5-8-17-12/h4-6,8,13H,7,9-11H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyHKTNFHZKFYRWNN-ZDUSSCGKSA-N
MW337.45 g/mol
LogP2.05
Rot. Bonds4

About tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate

tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate (PubChem CID 94821463) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
PubChem CID94821463
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Nametert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCCc1ccccn1
InChIInChI=1S/C16H23N3O3S/c1-16(2,3)22-15(21)19-11-23-10-13(19)14(20)18-9-7-12-6-4-5-8-17-12/h4-6,8,13H,7,9-11H2,1-3H3,(H,18,20)/t13-/m0/s1
InChIKeyHKTNFHZKFYRWNN-ZDUSSCGKSA-N
XLogP2.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylpropanoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42744624
3-(4-methylbenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745306
tert-butyl (4R)-4-(2-acetylsulfanylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 10382253
tert-butyl 4-hydroxy-2-methyl-2-(2-pyridin-2-ylethylcarbamoyl)pyrrolidine-1-carboxylate
CID 126826276
tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564467
3-(4-chlorobenzoyl)-N-(pyridin-2-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42744790
(3R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99805158
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
tert-butyl 4-[[[ethylamino-(2-pyridin-2-ylethylamino)methylidene]amino]methyl]piperidine-1-carboxylate
CID 111194456
tert-butyl (4S)-4-[(4-bromophenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564439
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
2-ethyl-3-(3-methylbut-2-enoyl)-N-(2-pyridin-2-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 42749157

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate (CID 94821463) is tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCCc1ccccn1.
What is the InChIKey of tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate?
The InChIKey is HKTNFHZKFYRWNN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-16(2,3)22-15(21)19-11-23-10-13(19)14(20)18-9-7-12-6-4-5-8-17-12/h4-6,8,13H,7,9-11H2,1-3H3,(H,18,20)/t13-/m0/s1.
What are the key properties of tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate?
tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate has a molecular weight of 337.45 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 94821463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).