5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline

C11H11ClN2OS2 — CID 81175576

IUPAC5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline
SMILESCc1nc(CS(=O)c2ccc(Cl)cc2N)cs1
InChIInChI=1S/C11H11ClN2OS2/c1-7-14-9(5-16-7)6-17(15)11-3-2-8(12)4-10(11)13/h2-5H,6,13H2,1H3
InChIKeyUVKJMDQDGGSKQA-UHFFFAOYSA-N
MW286.81 g/mol
LogP2.99
Rot. Bonds3

About 5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline

5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline (PubChem CID 81175576) has the molecular formula C11H11ClN2OS2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline
PubChem CID81175576
Molecular FormulaC11H11ClN2OS2
Molecular Weight286.81 g/mol
Exact Mass286.00
IUPAC Name5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline
SMILESCc1nc(CS(=O)c2ccc(Cl)cc2N)cs1
InChIInChI=1S/C11H11ClN2OS2/c1-7-14-9(5-16-7)6-17(15)11-3-2-8(12)4-10(11)13/h2-5H,6,13H2,1H3
InChIKeyUVKJMDQDGGSKQA-UHFFFAOYSA-N
XLogP2.99
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline
CID 81181147
3-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline
CID 82833919
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline
CID 81182064
4-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 115468699
5-chloro-2-[(4-chlorophenyl)methylsulfinyl]aniline
CID 81175311
5-chloro-2-[(2,6-difluorophenyl)methylsulfinyl]aniline
CID 114935211
5-chloro-2-propylsulfinylaniline
CID 81175936
4-chloro-2-N-methyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 115468828
5-chloro-2-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]aniline
CID 62101572
4-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]benzoic acid
CID 113298529
5-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)methylsulfinyl]aniline
CID 81176456
5-chloro-2-(2-methylsulfonylethylsulfinyl)aniline
CID 81175460

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline?
The IUPAC name of 5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline (CID 81175576) is 5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline.
What is the SMILES notation for 5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline?
The canonical SMILES for 5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline is Cc1nc(CS(=O)c2ccc(Cl)cc2N)cs1.
What is the InChIKey of 5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline?
The InChIKey is UVKJMDQDGGSKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS2/c1-7-14-9(5-16-7)6-17(15)11-3-2-8(12)4-10(11)13/h2-5H,6,13H2,1H3.
What are the key properties of 5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline?
5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline has a molecular weight of 286.81 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline is sourced from PubChem (CID 81175576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).