tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate

C19H22N2O3S — CID 96564763

IUPACtert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H22N2O3S/c1-19(2,3)24-18(23)21-12-25-11-16(21)17(22)20-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16H,11-12H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyMNJYWJSPVKEQBA-INIZCTEOSA-N
MW358.46 g/mol
LogP4.09
Rot. Bonds2

About tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate

tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate (PubChem CID 96564763) has the molecular formula C19H22N2O3S and a molecular weight of 358.46 g/mol. Its IUPAC name is tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate
PubChem CID96564763
Molecular FormulaC19H22N2O3S
Molecular Weight358.46 g/mol
Exact Mass358.14
IUPAC Nametert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H22N2O3S/c1-19(2,3)24-18(23)21-12-25-11-16(21)17(22)20-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16H,11-12H2,1-3H3,(H,20,22)/t16-/m0/s1
InChIKeyMNJYWJSPVKEQBA-INIZCTEOSA-N
XLogP4.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (4S)-4-[(4-bromophenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564439
tert-butyl (2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 11937062
tert-butyl (4R)-4-[(4-ethoxyphenyl)carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564467
tert-butyl (4R)-4-(2-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 94821463
tert-butyl N-[2-[(2S)-2-(naphthalen-2-ylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 71407704
(4R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 688405
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
tert-butyl 2-[(2-oxochromen-6-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 60559831
tert-butyl (4R)-4-(prop-2-ynylcarbamoyl)-1,3-thiazolidine-3-carboxylate
CID 95295365
(4R)-3-acetyl-N-(3-anilinophenyl)-1,3-thiazolidine-4-carboxamide
CID 124562005
3-benzoyl-N-(2-tert-butyl-1,3-benzoxazol-5-yl)-1,3-thiazolidine-4-carboxamide
CID 55620356
tert-butyl (4S)-4-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 96564479

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate (CID 96564763) is tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate is CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate?
The InChIKey is MNJYWJSPVKEQBA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O3S/c1-19(2,3)24-18(23)21-12-25-11-16(21)17(22)20-15-9-8-13-6-4-5-7-14(13)10-15/h4-10,16H,11-12H2,1-3H3,(H,20,22)/t16-/m0/s1.
What are the key properties of tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate?
tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate has a molecular weight of 358.46 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-(naphthalen-2-ylcarbamoyl)-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 96564763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).