4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

C12H15N3O3S2 — CID 61127020

IUPAC4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCc1nc(C)cs1
InChIInChI=1S/C12H15N3O3S2/c1-8-7-19-12(15-8)6-14-20(16,17)11-4-3-9(13)5-10(11)18-2/h3-5,7,14H,6,13H2,1-2H3
InChIKeyPAGFWATYYOICPC-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.52
Rot. Bonds5

About 4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 61127020) has the molecular formula C12H15N3O3S2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID61127020
Molecular FormulaC12H15N3O3S2
Molecular Weight313.40 g/mol
Exact Mass313.06
IUPAC Name4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCc1nc(C)cs1
InChIInChI=1S/C12H15N3O3S2/c1-8-7-19-12(15-8)6-14-20(16,17)11-4-3-9(13)5-10(11)18-2/h3-5,7,14H,6,13H2,1-2H3
InChIKeyPAGFWATYYOICPC-UHFFFAOYSA-N
XLogP1.52
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.52
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

4-amino-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126624
5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126239
3-amino-4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61125479
4-amino-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 61127981
4-amino-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 62996892
4-amino-2-bromo-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 63238661
4-amino-2-methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106413600
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954391
2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 47137013
4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
CID 113303531

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 61127020) is 4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NCc1nc(C)cs1.
What is the InChIKey of 4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is PAGFWATYYOICPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S2/c1-8-7-19-12(15-8)6-14-20(16,17)11-4-3-9(13)5-10(11)18-2/h3-5,7,14H,6,13H2,1-2H3.
What are the key properties of 4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 313.40 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 61127020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).