[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate

C11H9N2O4S2- — CID 174617807

IUPAC[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate
SMILESO=C(Nc1nc(CS(=O)[O-])cs1)c1ccccc1O
InChIInChI=1S/C11H10N2O4S2/c14-9-4-2-1-3-8(9)10(15)13-11-12-7(5-18-11)6-19(16)17/h1-5,14H,6H2,(H,16,17)(H,12,13,15)/p-1
InChIKeyCVRYXBTVNLUBIA-UHFFFAOYSA-M
MW297.34 g/mol
LogP1.48
Rot. Bonds4

About [2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate

[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate (PubChem CID 174617807) has the molecular formula C11H9N2O4S2- and a molecular weight of 297.34 g/mol. Its IUPAC name is [2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate.

Molecular Properties

Compound Name[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate
PubChem CID174617807
Molecular FormulaC11H9N2O4S2-
Molecular Weight297.34 g/mol
Exact Mass297.00
IUPAC Name[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate
SMILESO=C(Nc1nc(CS(=O)[O-])cs1)c1ccccc1O
InChIInChI=1S/C11H10N2O4S2/c14-9-4-2-1-3-8(9)10(15)13-11-12-7(5-18-11)6-19(16)17/h1-5,14H,6H2,(H,16,17)(H,12,13,15)/p-1
InChIKeyCVRYXBTVNLUBIA-UHFFFAOYSA-M
XLogP1.48
TPSA102.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
ethyl 2-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 18139388
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-[4-(benzenesulfonyl)-1,3-thiazol-2-yl]-2-hydroxybenzamide
CID 50905290
[2-[(3-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinic acid
CID 174602871
methyl 2-[2-[(2,5-dihydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 107725368
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-5-bromo-2-hydroxybenzamide
CID 26045800
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 17449882
ethyl 2-[2-[(5-benzyl-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 60620637
methyl 2-[2-[(5-bromo-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]acetate
CID 78798579
N-[4-[2-(naphthalene-1-carbonylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 5066416
3-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 107097418

Frequently Asked Questions

What is the IUPAC name of [2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate?
The IUPAC name of [2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate (CID 174617807) is [2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate.
What is the SMILES notation for [2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate?
The canonical SMILES for [2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate is O=C(Nc1nc(CS(=O)[O-])cs1)c1ccccc1O.
What is the InChIKey of [2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate?
The InChIKey is CVRYXBTVNLUBIA-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N2O4S2/c14-9-4-2-1-3-8(9)10(15)13-11-12-7(5-18-11)6-19(16)17/h1-5,14H,6H2,(H,16,17)(H,12,13,15)/p-1.
What are the key properties of [2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate?
[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate has a molecular weight of 297.34 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]methanesulfinate is sourced from PubChem (CID 174617807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).