N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide

C11H13N3O3S2 — CID 103413734

IUPACN-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnc(C)s2)c(N)c1
InChIInChI=1S/C11H13N3O3S2/c1-7-13-6-11(18-7)19(15,16)14-10-4-3-8(17-2)5-9(10)12/h3-6,14H,12H2,1-2H3
InChIKeyYDWDRLVCIHCPLI-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.84
Rot. Bonds4

About N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide

N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 103413734) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
PubChem CID103413734
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cnc(C)s2)c(N)c1
InChIInChI=1S/C11H13N3O3S2/c1-7-13-6-11(18-7)19(15,16)14-10-4-3-8(17-2)5-9(10)12/h3-6,14H,12H2,1-2H3
InChIKeyYDWDRLVCIHCPLI-UHFFFAOYSA-N
XLogP1.84
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-methylphenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413785
5-methoxy-2-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzoic acid
CID 104589390
N-(4-amino-2-chlorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413759
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413868
N-(2-amino-4-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28783259
N-[5-[(2,4-dimethoxyphenyl)sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 39861071
N-(2-amino-4,6-dibromophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413875
N-(2-amino-4-methoxyphenyl)-2-methylpropane-2-sulfonamide
CID 63688397
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
N-(2-amino-4,6-difluorophenyl)-2-methyl-1,3-thiazole-5-sulfonamide
CID 103413990
N-[4-(3-aminoprop-1-ynyl)-2-fluorophenyl]-2-methyl-1,3-thiazole-5-sulfonamide
CID 103415554
4-chloro-3-[(2-methyl-1,3-thiazol-5-yl)sulfonylamino]benzenecarbothioamide
CID 103414697

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide (CID 103413734) is N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide is COc1ccc(NS(=O)(=O)c2cnc(C)s2)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is YDWDRLVCIHCPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-7-13-6-11(18-7)19(15,16)14-10-4-3-8(17-2)5-9(10)12/h3-6,14H,12H2,1-2H3.
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide?
N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 299.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 103413734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).