4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline

C15H20N2O2S2 — CID 116633705

IUPAC4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline
SMILESCc1ccc(NCCc2csc(C(C)S(C)(=O)=O)n2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-11-4-6-13(7-5-11)16-9-8-14-10-20-15(17-14)12(2)21(3,18)19/h4-7,10,12,16H,8-9H2,1-3H3
InChIKeyPYZCAZLPNWZFJC-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.21
Rot. Bonds6

About 4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline

4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline (PubChem CID 116633705) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline
PubChem CID116633705
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC Name4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline
SMILESCc1ccc(NCCc2csc(C(C)S(C)(=O)=O)n2)cc1
InChIInChI=1S/C15H20N2O2S2/c1-11-4-6-13(7-5-11)16-9-8-14-10-20-15(17-14)12(2)21(3,18)19/h4-7,10,12,16H,8-9H2,1-3H3
InChIKeyPYZCAZLPNWZFJC-UHFFFAOYSA-N
XLogP3.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 116633699
N-ethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenesulfonamide
CID 106048432
N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
2-amino-2-(4-methylphenyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120670027
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114139058
2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 116633076
2-methyl-3-[(4-methylphenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110620243
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 110728120
N-(4-methylphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]propanamide
CID 103776250
2-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 114140022
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
2,2-dimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]propan-1-amine;hydrochloride
CID 115607884

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline?
The IUPAC name of 4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline (CID 116633705) is 4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline.
What is the SMILES notation for 4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline?
The canonical SMILES for 4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline is Cc1ccc(NCCc2csc(C(C)S(C)(=O)=O)n2)cc1.
What is the InChIKey of 4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline?
The InChIKey is PYZCAZLPNWZFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-11-4-6-13(7-5-11)16-9-8-14-10-20-15(17-14)12(2)21(3,18)19/h4-7,10,12,16H,8-9H2,1-3H3.
What are the key properties of 4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline?
4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline has a molecular weight of 324.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[2-(1-methylsulfonylethyl)-1,3-thiazol-4-yl]ethyl]aniline is sourced from PubChem (CID 116633705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).