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

C15H20N2OS2 — CID 43249759

IUPAC5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1cc(OCCSc2cnc(N)s2)ccc1C(C)C
InChIInChI=1S/C15H20N2OS2/c1-10(2)13-5-4-12(8-11(13)3)18-6-7-19-14-9-17-15(16)20-14/h4-5,8-10H,6-7H2,1-3H3,(H2,16,17)
InChIKeyNXEJPMHYDQFDIT-UHFFFAOYSA-N
MW308.47 g/mol
LogP4.33
Rot. Bonds6

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

5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine (PubChem CID 43249759) has the molecular formula C15H20N2OS2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
PubChem CID43249759
Molecular FormulaC15H20N2OS2
Molecular Weight308.47 g/mol
Exact Mass308.10
IUPAC Name5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
SMILESCc1cc(OCCSc2cnc(N)s2)ccc1C(C)C
InChIInChI=1S/C15H20N2OS2/c1-10(2)13-5-4-12(8-11(13)3)18-6-7-19-14-9-17-15(16)20-14/h4-5,8-10H,6-7H2,1-3H3,(H2,16,17)
InChIKeyNXEJPMHYDQFDIT-UHFFFAOYSA-N
XLogP4.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 54.33
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

5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 43249992
4-[2-(2-methoxyethylsulfanyl)ethoxy]-2-methyl-1-propan-2-ylbenzene
CID 112815261
2-(3-methyl-4-propan-2-ylphenoxy)ethyl N'-aminocarbamimidothioate
CID 77060725
5-[2-(4-methylphenyl)sulfanylethylsulfanyl]-1,3-thiazol-2-amine
CID 43250120
3-cyclopropyl-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 18224956
2-(3-methyl-4-propan-2-ylphenoxy)ethyl carbamimidothioate
CID 36521491
3-(2-methoxyphenyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 4790340
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]ethyl acetate
CID 152688417
5-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-1,3-thiazol-2-amine
CID 43250190
4-[4-(2-methoxyethyl)-5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 55317557
3-methyl-N-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]butan-2-amine
CID 60690385

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine (CID 43249759) is 5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine is Cc1cc(OCCSc2cnc(N)s2)ccc1C(C)C.
What is the InChIKey of 5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
The InChIKey is NXEJPMHYDQFDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS2/c1-10(2)13-5-4-12(8-11(13)3)18-6-7-19-14-9-17-15(16)20-14/h4-5,8-10H,6-7H2,1-3H3,(H2,16,17).
What are the key properties of 5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine?
5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine has a molecular weight of 308.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 43249759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).