4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine

C15H21N3O2S2 — CID 46942539

IUPAC4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCC(C)CC(N)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H21N3O2S2/c1-10(2)8-13(16)14-9-21-15(18-14)17-11-4-6-12(7-5-11)22(3,19)20/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)
InChIKeySXKZHYACBKDZCW-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.34
Rot. Bonds6

About 4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine

4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 46942539) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is 4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID46942539
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC Name4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCC(C)CC(N)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H21N3O2S2/c1-10(2)8-13(16)14-9-21-15(18-14)17-11-4-6-12(7-5-11)22(3,19)20/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18)
InChIKeySXKZHYACBKDZCW-UHFFFAOYSA-N
XLogP3.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine (CID 46942539) is 4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine is CC(C)CC(N)c1csc(Nc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is SXKZHYACBKDZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-10(2)8-13(16)14-9-21-15(18-14)17-11-4-6-12(7-5-11)22(3,19)20/h4-7,9-10,13H,8,16H2,1-3H3,(H,17,18).
What are the key properties of 4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 339.49 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-methylbutyl)-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46942539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).