3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

C13H17N3O3S2 — CID 61479503

IUPAC3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1N
InChIInChI=1S/C13H17N3O3S2/c1-8(2)11-7-20-13(15-11)16-21(17,18)9-4-5-12(19-3)10(14)6-9/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyLTQSEJCFDUNYOP-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.66
Rot. Bonds5

About 3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide

3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 61479503) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID61479503
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1N
InChIInChI=1S/C13H17N3O3S2/c1-8(2)11-7-20-13(15-11)16-21(17,18)9-4-5-12(19-3)10(14)6-9/h4-8H,14H2,1-3H3,(H,15,16)
InChIKeyLTQSEJCFDUNYOP-UHFFFAOYSA-N
XLogP2.66
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.66
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

3-amino-4-methoxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 28509857
4-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61481092
3-(1-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480691
4-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 54958513
4-(methylaminomethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61480734
3,4-dimethoxy-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 54773890
5-amino-2-ethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479670
3-amino-N-(6-fluoro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 116812631
3,4-difluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 64543445
3-amino-4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61125479
5-amino-2-chloro-4-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 61479389
3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 115328636

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide (CID 61479503) is 3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LTQSEJCFDUNYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-8(2)11-7-20-13(15-11)16-21(17,18)9-4-5-12(19-3)10(14)6-9/h4-8H,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide?
3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 327.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 61479503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).