5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine

C14H18N2OS2 — CID 43250718

IUPAC5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(OCCSc2sc(N)nc2C)c1
InChIInChI=1S/C14H18N2OS2/c1-9-6-10(2)8-12(7-9)17-4-5-18-13-11(3)16-14(15)19-13/h6-8H,4-5H2,1-3H3,(H2,15,16)
InChIKeySVEDMNYMOLNROX-UHFFFAOYSA-N
MW294.45 g/mol
LogP3.82
Rot. Bonds5

About 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine

5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 43250718) has the molecular formula C14H18N2OS2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID43250718
Molecular FormulaC14H18N2OS2
Molecular Weight294.45 g/mol
Exact Mass294.09
IUPAC Name5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(OCCSc2sc(N)nc2C)c1
InChIInChI=1S/C14H18N2OS2/c1-9-6-10(2)8-12(7-9)17-4-5-18-13-11(3)16-14(15)19-13/h6-8H,4-5H2,1-3H3,(H2,15,16)
InChIKeySVEDMNYMOLNROX-UHFFFAOYSA-N
XLogP3.82
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-5-[3-(3-methylphenoxy)propylsulfanyl]-1,3-thiazol-2-amine
CID 43250574
5-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 113427109
5-(2-butoxyethylsulfanyl)-4-methyl-1,3-thiazol-2-amine
CID 61483393
4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine
CID 79222133
5-hexylsulfanyl-4-methyl-1,3-thiazol-2-amine
CID 29006653
4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 62698614
5-[3-(dimethylamino)propylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 114525516
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4,6,8-trimethylquinoline
CID 39774426
4-methyl-5-(2-propan-2-ylsulfonylethylsulfanyl)-1,3-thiazol-2-amine
CID 106725560
5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 114849686
5-[3-(3,5-dimethylphenoxy)propylsulfanyl]pyridin-2-amine
CID 43301959

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine (CID 43250718) is 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine is Cc1cc(C)cc(OCCSc2sc(N)nc2C)c1.
What is the InChIKey of 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is SVEDMNYMOLNROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-9-6-10(2)8-12(7-9)17-4-5-18-13-11(3)16-14(15)19-13/h6-8H,4-5H2,1-3H3,(H2,15,16).
What are the key properties of 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 294.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethylphenoxy)ethylsulfanyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43250718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).