(4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C14H18N2O3S — CID 62315406

IUPAC(4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cccc(CCNC(=O)N2CSC[C@H]2C(=O)O)c1
InChIInChI=1S/C14H18N2O3S/c1-10-3-2-4-11(7-10)5-6-15-14(19)16-9-20-8-12(16)13(17)18/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyFECRJVCNSABVTO-LBPRGKRZSA-N
MW294.38 g/mol
LogP1.71
Rot. Bonds4

About (4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62315406) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID62315406
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1cccc(CCNC(=O)N2CSC[C@H]2C(=O)O)c1
InChIInChI=1S/C14H18N2O3S/c1-10-3-2-4-11(7-10)5-6-15-14(19)16-9-20-8-12(16)13(17)18/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,19)(H,17,18)/t12-/m0/s1
InChIKeyFECRJVCNSABVTO-LBPRGKRZSA-N
XLogP1.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-[(3-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61205375
(4R)-3-[2-(3-methylphenyl)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 53211524
3-[(3-chlorophenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 62533279
3-[(2-methylphenyl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61204063
3-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 103994759
(4R)-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 61200404
(4R)-3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63330040
3-[(4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43437733
3-[(2-bromo-4-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61183423
3-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 65245298
1,3,3-trimethyl-N-[2-(3-methylphenyl)ethyl]-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 108900794
1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61204446

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 62315406) is (4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1cccc(CCNC(=O)N2CSC[C@H]2C(=O)O)c1.
What is the InChIKey of (4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FECRJVCNSABVTO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10-3-2-4-11(7-10)5-6-15-14(19)16-9-20-8-12(16)13(17)18/h2-4,7,12H,5-6,8-9H2,1H3,(H,15,19)(H,17,18)/t12-/m0/s1.
What are the key properties of (4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 294.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-(3-methylphenyl)ethylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62315406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).