2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol

C18H18N2O2S — CID 82152286

IUPAC2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol
SMILESCc1ccc(-c2csc(-c3ccc(OCCO)c(N)c3)n2)cc1
InChIInChI=1S/C18H18N2O2S/c1-12-2-4-13(5-3-12)16-11-23-18(20-16)14-6-7-17(15(19)10-14)22-9-8-21/h2-7,10-11,21H,8-9,19H2,1H3
InChIKeyBEOJISLQFSGWKI-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.74
Rot. Bonds5

About 2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol

2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol (PubChem CID 82152286) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol
PubChem CID82152286
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol
SMILESCc1ccc(-c2csc(-c3ccc(OCCO)c(N)c3)n2)cc1
InChIInChI=1S/C18H18N2O2S/c1-12-2-4-13(5-3-12)16-11-23-18(20-16)14-6-7-17(15(19)10-14)22-9-8-21/h2-7,10-11,21H,8-9,19H2,1H3
InChIKeyBEOJISLQFSGWKI-UHFFFAOYSA-N
XLogP3.74
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.74
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

5-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-propoxyaniline
CID 82152285
2-ethoxy-5-[2-(3-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 93205686
2-[(4-methylphenyl)methoxy]-5-(4-methyl-1,3-thiazol-2-yl)aniline
CID 94758930
5-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-prop-2-enoxyaniline
CID 82152301
4-[3-amino-4-(2-methoxyethoxy)phenyl]-1,3-thiazol-2-amine
CID 168950454
2-methyl-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 82164375
5-(4-propan-2-yl-1,3-thiazol-2-yl)-2-propoxyaniline
CID 82152400
2-[2-(methoxymethyl)-4-pyridinyl]-4-(4-methylphenyl)-1,3-thiazole
CID 145149584
5-(2-ethyl-1,3-thiazol-4-yl)-2-pentoxyaniline
CID 82057785
2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)-1,3-thiazole
CID 46339235
2-bromo-5-[2-(4-methylphenyl)-1,3-thiazol-4-yl]aniline
CID 39164069
3-(2-amino-4-methylphenoxy)propan-1-ol
CID 43349600

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol?
The IUPAC name of 2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol (CID 82152286) is 2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol.
What is the SMILES notation for 2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol?
The canonical SMILES for 2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol is Cc1ccc(-c2csc(-c3ccc(OCCO)c(N)c3)n2)cc1.
What is the InChIKey of 2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol?
The InChIKey is BEOJISLQFSGWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c1-12-2-4-13(5-3-12)16-11-23-18(20-16)14-6-7-17(15(19)10-14)22-9-8-21/h2-7,10-11,21H,8-9,19H2,1H3.
What are the key properties of 2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol?
2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol has a molecular weight of 326.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenoxy]ethanol is sourced from PubChem (CID 82152286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).