2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid

C7H7N3O3S2 — CID 141183833

IUPAC2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2C(=O)CNC2S)n1
InChIInChI=1S/C7H7N3O3S2/c11-4-1-8-6(14)10(4)7-9-3(2-15-7)5(12)13/h2,6,8,14H,1H2,(H,12,13)
InChIKeyXKTFBVFUVFLRIJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.01
Rot. Bonds2

About 2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid

2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid (PubChem CID 141183833) has the molecular formula C7H7N3O3S2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid
PubChem CID141183833
Molecular FormulaC7H7N3O3S2
Molecular Weight245.28 g/mol
Exact Mass244.99
IUPAC Name2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(N2C(=O)CNC2S)n1
InChIInChI=1S/C7H7N3O3S2/c11-4-1-8-6(14)10(4)7-9-3(2-15-7)5(12)13/h2,6,8,14H,1H2,(H,12,13)
InChIKeyXKTFBVFUVFLRIJ-UHFFFAOYSA-N
XLogP-0.01
TPSA82.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-2-[2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazol-4-yl]acetic acid
CID 141182661
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 168661364
2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 168664222
2-[N-(4-bromophenyl)-4-(5-oxo-2-sulfanylimidazolidin-1-yl)anilino]-1,3-thiazole-4-carboxamide
CID 141472915
2-(3-oxo-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568485
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 130700102
2-(2-azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole-4-carboxylic acid
CID 80569071
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,3-thiazole-4-carboxylic acid
CID 80569253
2-(4-tert-butylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568443
2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80567945
2-(4-methyl-1,4-diazepan-1-yl)-1,3-thiazole-4-carboxylic acid
CID 80568075
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 83224673

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid (CID 141183833) is 2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(N2C(=O)CNC2S)n1.
What is the InChIKey of 2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is XKTFBVFUVFLRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O3S2/c11-4-1-8-6(14)10(4)7-9-3(2-15-7)5(12)13/h2,6,8,14H,1H2,(H,12,13).
What are the key properties of 2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid?
2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of -0.01, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2-sulfanylimidazolidin-1-yl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 141183833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).