4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine

C9H16N2O2S3 — CID 106725560

IUPAC4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCS(=O)(=O)C(C)C
InChIInChI=1S/C9H16N2O2S3/c1-6(2)16(12,13)5-4-14-8-7(3)11-9(10)15-8/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyWHFZWWKKAUZNGL-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.95
Rot. Bonds5

About 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine

4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 106725560) has the molecular formula C9H16N2O2S3 and a molecular weight of 280.44 g/mol. Its IUPAC name is 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine
PubChem CID106725560
Molecular FormulaC9H16N2O2S3
Molecular Weight280.44 g/mol
Exact Mass280.04
IUPAC Name4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCS(=O)(=O)C(C)C
InChIInChI=1S/C9H16N2O2S3/c1-6(2)16(12,13)5-4-14-8-7(3)11-9(10)15-8/h6H,4-5H2,1-3H3,(H2,10,11)
InChIKeyWHFZWWKKAUZNGL-UHFFFAOYSA-N
XLogP1.95
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine (CID 106725560) is 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1SCCS(=O)(=O)C(C)C.
What is the InChIKey of 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is WHFZWWKKAUZNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S3/c1-6(2)16(12,13)5-4-14-8-7(3)11-9(10)15-8/h6H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine?
4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 280.44 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 106725560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).