2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline

C11H12N2S2 — CID 79147482

IUPAC2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline
SMILESCc1cccc(SCc2cscn2)c1N
InChIInChI=1S/C11H12N2S2/c1-8-3-2-4-10(11(8)12)15-6-9-5-14-7-13-9/h2-5,7H,6,12H2,1H3
InChIKeyMHZXUTOJGJYRJN-UHFFFAOYSA-N
MW236.37 g/mol
LogP3.33
Rot. Bonds3

About 2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline

2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline (PubChem CID 79147482) has the molecular formula C11H12N2S2 and a molecular weight of 236.37 g/mol. Its IUPAC name is 2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline.

Molecular Properties

Compound Name2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline
PubChem CID79147482
Molecular FormulaC11H12N2S2
Molecular Weight236.37 g/mol
Exact Mass236.04
IUPAC Name2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline
SMILESCc1cccc(SCc2cscn2)c1N
InChIInChI=1S/C11H12N2S2/c1-8-3-2-4-10(11(8)12)15-6-9-5-14-7-13-9/h2-5,7H,6,12H2,1H3
InChIKeyMHZXUTOJGJYRJN-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 53.33
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

4-[(2-methylphenyl)sulfanylmethyl]-1,3-thiazole
CID 163560062
2-methyl-6-(pyridin-2-ylmethylsulfanyl)aniline
CID 79146225
4-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)aniline
CID 79142963
2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79146896
3-fluoro-4-(1,3-thiazol-4-ylmethylsulfanyl)aniline
CID 43303709
2-methyl-6-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]aniline
CID 79146830
[3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine
CID 66353488
6-methyl-2-(1,3-thiazol-4-ylmethylsulfanyl)pyrimidin-4-amine
CID 78911837
2-[(3,4-dichlorophenyl)methylsulfanyl]-6-methylaniline
CID 79146565
(3,5-dimethylphenyl)methyl 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate
CID 18206166
methyl 6-[(2-amino-3-methylphenyl)sulfanylmethyl]pyridine-2-carboxylate
CID 106903901
2-[(4-tert-butylphenyl)methylsulfanyl]-6-methylaniline
CID 79146462

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline?
The IUPAC name of 2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline (CID 79147482) is 2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline.
What is the SMILES notation for 2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline?
The canonical SMILES for 2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline is Cc1cccc(SCc2cscn2)c1N.
What is the InChIKey of 2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline?
The InChIKey is MHZXUTOJGJYRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c1-8-3-2-4-10(11(8)12)15-6-9-5-14-7-13-9/h2-5,7H,6,12H2,1H3.
What are the key properties of 2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline?
2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline has a molecular weight of 236.37 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline is sourced from PubChem (CID 79147482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).