1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine

C13H16N2O2S2 — CID 62652676

IUPAC1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C13H16N2O2S2/c1-9(14)7-13-15-12(8-18-13)10-3-5-11(6-4-10)19(2,16)17/h3-6,8-9H,7,14H2,1-2H3
InChIKeyWVXDVIHAOZQNTB-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.10
Rot. Bonds4

About 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine

1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine (PubChem CID 62652676) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine
PubChem CID62652676
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine
SMILESCC(N)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1
InChIInChI=1S/C13H16N2O2S2/c1-9(14)7-13-15-12(8-18-13)10-3-5-11(6-4-10)19(2,16)17/h3-6,8-9H,7,14H2,1-2H3
InChIKeyWVXDVIHAOZQNTB-UHFFFAOYSA-N
XLogP2.10
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3686493
1-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-2-amine
CID 62653588
sodium 2-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]acetate
CID 50987266
3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-amine
CID 105006711
1-[4-(3-methylphenyl)-1,3-thiazol-2-yl]propan-2-amine
CID 62653041
(2R)-1-(4-methylsulfonylphenyl)propan-2-amine
CID 12006738
2-[[4-(2-bromoethyl)-2,5-dimethylphenyl]methyl]-4-(4-methylsulfonylphenyl)-1,3-thiazole
CID 89426358
[3-methylsulfonyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105320678
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965132
1-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-2-amine
CID 62652862
4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]benzoic acid
CID 58256826
4-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]butan-2-amine
CID 116965129

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine?
The IUPAC name of 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine (CID 62652676) is 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine is CC(N)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1.
What is the InChIKey of 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine?
The InChIKey is WVXDVIHAOZQNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-9(14)7-13-15-12(8-18-13)10-3-5-11(6-4-10)19(2,16)17/h3-6,8-9H,7,14H2,1-2H3.
What are the key properties of 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine?
1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine has a molecular weight of 296.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylsulfonylphenyl)-1,3-thiazol-2-yl]propan-2-amine is sourced from PubChem (CID 62652676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).