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

C10H13N3O3S2 — CID 55170725

IUPAC3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ncsc1CNC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H13N3O3S2/c1-6-8(18-4-12-6)2-11-10(16)13-5-17-3-7(13)9(14)15/h4,7H,2-3,5H2,1H3,(H,11,16)(H,14,15)
InChIKeyZXWNTOOBLJPVCR-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.12
Rot. Bonds3

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

3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55170725) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID55170725
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESCc1ncsc1CNC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C10H13N3O3S2/c1-6-8(18-4-12-6)2-11-10(16)13-5-17-3-7(13)9(14)15/h4,7H,2-3,5H2,1H3,(H,11,16)(H,14,15)
InChIKeyZXWNTOOBLJPVCR-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid (CID 55170725) is 3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is Cc1ncsc1CNC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is ZXWNTOOBLJPVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-6-8(18-4-12-6)2-11-10(16)13-5-17-3-7(13)9(14)15/h4,7H,2-3,5H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid?
3-[(4-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 3-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55170725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).