4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide

C9H17N3O2S3 — CID 114271025

IUPAC4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide
SMILESCSC(C)(C)CNc1nc(C)c(S(N)(=O)=O)s1
InChIInChI=1S/C9H17N3O2S3/c1-6-7(17(10,13)14)16-8(12-6)11-5-9(2,3)15-4/h5H2,1-4H3,(H,11,12)(H2,10,13,14)
InChIKeyJEGIWDWQVLMEFK-UHFFFAOYSA-N
MW295.46 g/mol
LogP1.65
Rot. Bonds5

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

4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide (PubChem CID 114271025) has the molecular formula C9H17N3O2S3 and a molecular weight of 295.46 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide
PubChem CID114271025
Molecular FormulaC9H17N3O2S3
Molecular Weight295.46 g/mol
Exact Mass295.05
IUPAC Name4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide
SMILESCSC(C)(C)CNc1nc(C)c(S(N)(=O)=O)s1
InChIInChI=1S/C9H17N3O2S3/c1-6-7(17(10,13)14)16-8(12-6)11-5-9(2,3)15-4/h5H2,1-4H3,(H,11,12)(H2,10,13,14)
InChIKeyJEGIWDWQVLMEFK-UHFFFAOYSA-N
XLogP1.65
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.46
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide (CID 114271025) is 4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide is CSC(C)(C)CNc1nc(C)c(S(N)(=O)=O)s1.
What is the InChIKey of 4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide?
The InChIKey is JEGIWDWQVLMEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S3/c1-6-7(17(10,13)14)16-8(12-6)11-5-9(2,3)15-4/h5H2,1-4H3,(H,11,12)(H2,10,13,14).
What are the key properties of 4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide?
4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide has a molecular weight of 295.46 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-2-methylsulfanylpropyl)amino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 114271025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).