2-acetamido-1,3-thiazole-5-sulfinate

C5H5N2O3S2- — CID 90750741

IUPAC2-acetamido-1,3-thiazole-5-sulfinate
SMILESCC(=O)Nc1ncc(S(=O)[O-])s1
InChIInChI=1S/C5H6N2O3S2/c1-3(8)7-5-6-2-4(11-5)12(9)10/h2H,1H3,(H,9,10)(H,6,7,8)/p-1
InChIKeyQLSRSMUGUJVWFT-UHFFFAOYSA-M
MW205.24 g/mol
LogP0.34
Rot. Bonds2

About 2-acetamido-1,3-thiazole-5-sulfinate

2-acetamido-1,3-thiazole-5-sulfinate (PubChem CID 90750741) has the molecular formula C5H5N2O3S2- and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-acetamido-1,3-thiazole-5-sulfinate.

Molecular Properties

Compound Name2-acetamido-1,3-thiazole-5-sulfinate
PubChem CID90750741
Molecular FormulaC5H5N2O3S2-
Molecular Weight205.24 g/mol
Exact Mass204.97
IUPAC Name2-acetamido-1,3-thiazole-5-sulfinate
SMILESCC(=O)Nc1ncc(S(=O)[O-])s1
InChIInChI=1S/C5H6N2O3S2/c1-3(8)7-5-6-2-4(11-5)12(9)10/h2H,1H3,(H,9,10)(H,6,7,8)/p-1
InChIKeyQLSRSMUGUJVWFT-UHFFFAOYSA-M
XLogP0.34
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate
CID 89199512
N-[5-[(2-acetamido-1,3-thiazol-5-yl)sulfanyl]-1,3-thiazol-2-yl]acetamide
CID 54507195
N-(5-acetyl-1,3-thiazol-2-yl)acetamide;hydrobromide
CID 141437106
2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174821930
3,4-dimethyl-N-(5-pentan-3-ylsulfinyl-1,3-thiazol-2-yl)benzamide
CID 143777775
N-[5-(cyclopropylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 90480612
2-[(3-hydroxybenzoyl)amino]-1,3-thiazole-5-sulfinic acid
CID 89199451
N-(5-phenylsulfanyl-1,3-thiazol-2-yl)acetamide
CID 15786742
N-[5-(4-methylphenyl)sulfanyl-1,3-thiazol-2-yl]acetamide
CID 134938465
acetonitrile;N-[5-(chloromethyl)-1,3-thiazol-2-yl]acetamide
CID 174885566
[5-cyclopropyl-2-[(5-methylsulfinyl-1,3-thiazol-2-yl)carbamoyl]phenyl] acetate
CID 56970035
N-[5-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide;dihydrochloride
CID 71308050

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-1,3-thiazole-5-sulfinate?
The IUPAC name of 2-acetamido-1,3-thiazole-5-sulfinate (CID 90750741) is 2-acetamido-1,3-thiazole-5-sulfinate.
What is the SMILES notation for 2-acetamido-1,3-thiazole-5-sulfinate?
The canonical SMILES for 2-acetamido-1,3-thiazole-5-sulfinate is CC(=O)Nc1ncc(S(=O)[O-])s1.
What is the InChIKey of 2-acetamido-1,3-thiazole-5-sulfinate?
The InChIKey is QLSRSMUGUJVWFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H6N2O3S2/c1-3(8)7-5-6-2-4(11-5)12(9)10/h2H,1H3,(H,9,10)(H,6,7,8)/p-1.
What are the key properties of 2-acetamido-1,3-thiazole-5-sulfinate?
2-acetamido-1,3-thiazole-5-sulfinate has a molecular weight of 205.24 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-1,3-thiazole-5-sulfinate is sourced from PubChem (CID 90750741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).