(4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C15H18N2O3S — CID 62316205

IUPAC(4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C15H18N2O3S/c18-14(19)13-8-21-9-17(13)15(20)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12-13H,3,5,7-9H2,(H,16,20)(H,18,19)/t12?,13-/m0/s1
InChIKeyGQJUTCGSNPIIIT-ABLWVSNPSA-N
MW306.39 g/mol
LogP2.23
Rot. Bonds2

About (4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62316205) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID62316205
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C15H18N2O3S/c18-14(19)13-8-21-9-17(13)15(20)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12-13H,3,5,7-9H2,(H,16,20)(H,18,19)/t12?,13-/m0/s1
InChIKeyGQJUTCGSNPIIIT-ABLWVSNPSA-N
XLogP2.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
(4R)-3-(cyclopropylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187556
benzyl N-[(2S)-3-methyl-1-oxo-1-[(4R)-4-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]-1,3-thiazolidin-3-yl]butan-2-yl]carbamate
CID 59415581
cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124670671
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
3-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-1-carboxamide
CID 110882568
(2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 124703488
(2S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 125118742
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
2-(2,5-dioxopyrrolidin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 7819453

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 62316205) is (4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)NC1CCCc2ccccc21.
What is the InChIKey of (4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GQJUTCGSNPIIIT-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-14(19)13-8-21-9-17(13)15(20)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-2,4,6,12-13H,3,5,7-9H2,(H,16,20)(H,18,19)/t12?,13-/m0/s1.
What are the key properties of (4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 306.39 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62316205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).