(4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C15H18N2O3S — CID 61181744

IUPAC(4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Nc1cccc2c1CCCC2
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/h3,5,7,13H,1-2,4,6,8-9H2,(H,16,20)(H,18,19)/t13-/m0/s1
InChIKeyFUNNZZCGFXZFGP-ZDUSSCGKSA-N
MW306.39 g/mol
LogP2.56
Rot. Bonds2

About (4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61181744) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is (4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61181744
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name(4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)Nc1cccc2c1CCCC2
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/h3,5,7,13H,1-2,4,6,8-9H2,(H,16,20)(H,18,19)/t13-/m0/s1
InChIKeyFUNNZZCGFXZFGP-ZDUSSCGKSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-dimethylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61200074
(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
(4R)-3-[(2-cyanophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61191848
(4R)-3-[[2-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61181721
(4R)-3-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62316205
3-(isoquinolin-5-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61205607
3-[(4-methyl-3-pyridinyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63327691
(4R)-3-[(4-acetamidophenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183048
(4R)-3-[(2,5-difluoro-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103586681
3-(1,2,3,4-tetrahydronaphthalen-2-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 62317267
4-[(2-bromo-3-methylphenyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82906447
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61181744) is (4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of (4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FUNNZZCGFXZFGP-ZDUSSCGKSA-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/h3,5,7,13H,1-2,4,6,8-9H2,(H,16,20)(H,18,19)/t13-/m0/s1.
What are the key properties of (4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 306.39 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61181744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).