4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid

C10H13N3O3S2 — CID 82904543

IUPAC4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
SMILESCc1cnc(NC(=O)N2CCSCC2C(=O)O)s1
InChIInChI=1S/C10H13N3O3S2/c1-6-4-11-9(18-6)12-10(16)13-2-3-17-5-7(13)8(14)15/h4,7H,2-3,5H2,1H3,(H,14,15)(H,11,12,16)
InChIKeyUEXWREHWMACEGU-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.49
Rot. Bonds2

About 4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid

4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid (PubChem CID 82904543) has the molecular formula C10H13N3O3S2 and a molecular weight of 287.37 g/mol. Its IUPAC name is 4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
PubChem CID82904543
Molecular FormulaC10H13N3O3S2
Molecular Weight287.37 g/mol
Exact Mass287.04
IUPAC Name4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
SMILESCc1cnc(NC(=O)N2CCSCC2C(=O)O)s1
InChIInChI=1S/C10H13N3O3S2/c1-6-4-11-9(18-6)12-10(16)13-2-3-17-5-7(13)8(14)15/h4,7H,2-3,5H2,1H3,(H,14,15)(H,11,12,16)
InChIKeyUEXWREHWMACEGU-UHFFFAOYSA-N
XLogP1.49
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid (CID 82904543) is 4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid is Cc1cnc(NC(=O)N2CCSCC2C(=O)O)s1.
What is the InChIKey of 4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid?
The InChIKey is UEXWREHWMACEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S2/c1-6-4-11-9(18-6)12-10(16)13-2-3-17-5-7(13)8(14)15/h4,7H,2-3,5H2,1H3,(H,14,15)(H,11,12,16).
What are the key properties of 4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid?
4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid has a molecular weight of 287.37 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82904543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).