2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide

C14H19N3O2S2 — CID 63945975

IUPAC2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1sc(N)nc1C
InChIInChI=1S/C14H19N3O2S2/c1-4-10-7-6-8-11(5-2)12(10)17-21(18,19)13-9(3)16-14(15)20-13/h6-8,17H,4-5H2,1-3H3,(H2,15,16)
InChIKeyBRIGWXZILJWRII-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.96
Rot. Bonds5

About 2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide

2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 63945975) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID63945975
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)c1sc(N)nc1C
InChIInChI=1S/C14H19N3O2S2/c1-4-10-7-6-8-11(5-2)12(10)17-21(18,19)13-9(3)16-14(15)20-13/h6-8,17H,4-5H2,1-3H3,(H2,15,16)
InChIKeyBRIGWXZILJWRII-UHFFFAOYSA-N
XLogP2.96
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 63945975) is 2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide is CCc1cccc(CC)c1NS(=O)(=O)c1sc(N)nc1C.
What is the InChIKey of 2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is BRIGWXZILJWRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-4-10-7-6-8-11(5-2)12(10)17-21(18,19)13-9(3)16-14(15)20-13/h6-8,17H,4-5H2,1-3H3,(H2,15,16).
What are the key properties of 2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-diethylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).