2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate

C12H11N2O4S2- — CID 89199512

IUPAC2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate
SMILESCOc1c(C)cccc1C(=O)Nc1ncc(S(=O)[O-])s1
InChIInChI=1S/C12H12N2O4S2/c1-7-4-3-5-8(10(7)18-2)11(15)14-12-13-6-9(19-12)20(16)17/h3-6H,1-2H3,(H,16,17)(H,13,14,15)/p-1
InChIKeyCUVOCNFMMYOVFP-UHFFFAOYSA-M
MW311.36 g/mol
LogP1.95
Rot. Bonds4

About 2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate

2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate (PubChem CID 89199512) has the molecular formula C12H11N2O4S2- and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate.

Molecular Properties

Compound Name2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate
PubChem CID89199512
Molecular FormulaC12H11N2O4S2-
Molecular Weight311.36 g/mol
Exact Mass311.02
IUPAC Name2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate
SMILESCOc1c(C)cccc1C(=O)Nc1ncc(S(=O)[O-])s1
InChIInChI=1S/C12H12N2O4S2/c1-7-4-3-5-8(10(7)18-2)11(15)14-12-13-6-9(19-12)20(16)17/h3-6H,1-2H3,(H,16,17)(H,13,14,15)/p-1
InChIKeyCUVOCNFMMYOVFP-UHFFFAOYSA-M
XLogP1.95
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-1,3-thiazole-5-sulfinate
CID 90750741
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 803477
2-methoxy-N-(5-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46557890
3-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-yloxybenzamide
CID 141135963
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 46536911
N-(4-amino-2,6-dimethylphenyl)-2-methoxy-3-methylbenzamide
CID 50880475
N-(4-ethoxyphenyl)-2-methoxy-3-methylbenzamide
CID 883648
N-(5-cyclopropyl-1,3-thiazol-2-yl)-2-methoxybenzamide
CID 155951835
methyl 2-[(2-methyl-3-nitrobenzoyl)amino]-1,3-thiazole-5-carboxylate
CID 31769618
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 42027870
methyl 2-[(2,3-dimethylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60594520
2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate?
The IUPAC name of 2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate (CID 89199512) is 2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate.
What is the SMILES notation for 2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate?
The canonical SMILES for 2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate is COc1c(C)cccc1C(=O)Nc1ncc(S(=O)[O-])s1.
What is the InChIKey of 2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate?
The InChIKey is CUVOCNFMMYOVFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N2O4S2/c1-7-4-3-5-8(10(7)18-2)11(15)14-12-13-6-9(19-12)20(16)17/h3-6H,1-2H3,(H,16,17)(H,13,14,15)/p-1.
What are the key properties of 2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate?
2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate has a molecular weight of 311.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-methylbenzoyl)amino]-1,3-thiazole-5-sulfinate is sourced from PubChem (CID 89199512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).