1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol

C12H14N2OS2 — CID 62266989

IUPAC1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
SMILESCc1csc(SCC(O)c2ccc(N)cc2)n1
InChIInChI=1S/C12H14N2OS2/c1-8-6-16-12(14-8)17-7-11(15)9-2-4-10(13)5-3-9/h2-6,11,15H,7,13H2,1H3
InChIKeyARBJCWTYQYHFQT-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.86
Rot. Bonds4

About 1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol

1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol (PubChem CID 62266989) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
PubChem CID62266989
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
SMILESCc1csc(SCC(O)c2ccc(N)cc2)n1
InChIInChI=1S/C12H14N2OS2/c1-8-6-16-12(14-8)17-7-11(15)9-2-4-10(13)5-3-9/h2-6,11,15H,7,13H2,1H3
InChIKeyARBJCWTYQYHFQT-UHFFFAOYSA-N
XLogP2.86
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol
CID 110884759
1-amino-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 43188142
4-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]aniline
CID 61261675
1-(4-methoxyphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64650382
1-(4-ethylphenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64648813
1-[bis(4-fluorophenyl)methoxy]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 78815982
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 75858434
1-(2-methoxyethoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 106992395
N-methyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylethanamine
CID 64650383
1-(4-aminophenyl)-2-(2-methylpropylsulfanyl)ethanol
CID 62264389
3-iodo-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline
CID 66094627

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol (CID 62266989) is 1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol is Cc1csc(SCC(O)c2ccc(N)cc2)n1.
What is the InChIKey of 1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol?
The InChIKey is ARBJCWTYQYHFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-8-6-16-12(14-8)17-7-11(15)9-2-4-10(13)5-3-9/h2-6,11,15H,7,13H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol?
1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol has a molecular weight of 266.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanol is sourced from PubChem (CID 62266989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).