(4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

C10H13N3O3S2 — CID 54962521

IUPAC(4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ncc(CNC(=O)N2CSC[C@H]2C(=O)O)s1
InChIInChI=1S/C10H13N3O3S2/c1-6-11-2-7(18-6)3-12-10(16)13-5-17-4-8(13)9(14)15/h2,8H,3-5H2,1H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKeyBADWNOZBFUPQCB-QMMMGPOBSA-N
MW287.37 g/mol
LogP1.12
Rot. Bonds3

About (4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54962521) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is (4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID54962521
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name(4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ncc(CNC(=O)N2CSC[C@H]2C(=O)O)s1
InChIInChI=1S/C10H13N3O3S2/c1-6-11-2-7(18-6)3-12-10(16)13-5-17-4-8(13)9(14)15/h2,8H,3-5H2,1H3,(H,12,16)(H,14,15)/t8-/m0/s1
InChIKeyBADWNOZBFUPQCB-QMMMGPOBSA-N
XLogP1.12
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cobicistat metabolite M2-2
CID 112640743
2-[(2-Methyl-1,3-thiazol-5-yl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265666
3,3,3-Trifluoro-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]propanoic acid
CID 79800825
2-[1,3-Thiazol-5-ylmethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 113512626
3,3,3-Trifluoro-2-methyl-2-(1,3-thiazol-5-ylmethylcarbamoylamino)propanoic acid
CID 113512640
(2R)-3-methyl-2-(1,3-thiazol-5-ylmethylcarbamoylamino)butanoic acid
CID 54202469
(2S)-3-methyl-2-(1,3-thiazol-5-ylmethylcarbamoylamino)butanoic acid
CID 57164702
(2S)-3-methyl-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 59721292
(2S)-4-hydroxy-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 59721295
(2S)-2-[[methyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 59721304
(2S)-2-[[cyclopropyl(1,3-thiazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 59721338
(R)-2,3,4,5-Tetrahydro-[2,5']bithiazolyl-4-carboxylic acid
CID 68805770

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 54962521) is (4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1ncc(CNC(=O)N2CSC[C@H]2C(=O)O)s1.
What is the InChIKey of (4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BADWNOZBFUPQCB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-6-11-2-7(18-6)3-12-10(16)13-5-17-4-8(13)9(14)15/h2,8H,3-5H2,1H3,(H,12,16)(H,14,15)/t8-/m0/s1.
What are the key properties of (4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 287.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54962521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).