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

C13H17N3O3S2 — CID 63946400

IUPAC2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2sc(N)nc2C)cc1
InChIInChI=1S/C13H17N3O3S2/c1-9-12(20-13(14)15-9)21(17,18)16(2)8-10-4-6-11(19-3)7-5-10/h4-7H,8H2,1-3H3,(H2,14,15)
InChIKeyUBHSUARSZANNBD-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.86
Rot. Bonds5

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

2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 63946400) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID63946400
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(CN(C)S(=O)(=O)c2sc(N)nc2C)cc1
InChIInChI=1S/C13H17N3O3S2/c1-9-12(20-13(14)15-9)21(17,18)16(2)8-10-4-6-11(19-3)7-5-10/h4-7H,8H2,1-3H3,(H2,14,15)
InChIKeyUBHSUARSZANNBD-UHFFFAOYSA-N
XLogP1.86
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide (CID 63946400) is 2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide is COc1ccc(CN(C)S(=O)(=O)c2sc(N)nc2C)cc1.
What is the InChIKey of 2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is UBHSUARSZANNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-9-12(20-13(14)15-9)21(17,18)16(2)8-10-4-6-11(19-3)7-5-10/h4-7H,8H2,1-3H3,(H2,14,15).
What are the key properties of 2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide?
2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 327.43 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-methoxyphenyl)methyl]-N,4-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63946400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).