[2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol

C14H18N2O2S — CID 54880114

IUPAC[2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
SMILESCCOc1ccc(NCc2cnc(C)s2)cc1CO
InChIInChI=1S/C14H18N2O2S/c1-3-18-14-5-4-12(6-11(14)9-17)16-8-13-7-15-10(2)19-13/h4-7,16-17H,3,8-9H2,1-2H3
InChIKeyNMTMYYVIEFQCSH-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.95
Rot. Bonds6

About [2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol

[2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol (PubChem CID 54880114) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is [2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
PubChem CID54880114
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name[2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol
SMILESCCOc1ccc(NCc2cnc(C)s2)cc1CO
InChIInChI=1S/C14H18N2O2S/c1-3-18-14-5-4-12(6-11(14)9-17)16-8-13-7-15-10(2)19-13/h4-7,16-17H,3,8-9H2,1-2H3
InChIKeyNMTMYYVIEFQCSH-UHFFFAOYSA-N
XLogP2.95
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

[5-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-ethoxyphenyl]methanol
CID 60980472
[2-ethoxy-5-(1H-imidazol-5-ylmethylamino)phenyl]methanol
CID 62763564
[2-ethoxy-5-[(5-methyl-1H-imidazol-4-yl)methylamino]phenyl]methanol
CID 62742857
[5-[(3,4-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60981003
[5-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-ethoxyphenyl]methanol
CID 110897388
[5-[(3,5-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60980596
[2-ethoxy-5-[(4-fluorophenyl)methylamino]phenyl]methanol
CID 60980868
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
[5-[(5-chlorofuran-2-yl)methylamino]-2-ethoxyphenyl]methanol
CID 54880065
[5-[(2-aminophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 66419817
2-ethoxy-4-fluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 54868511
N-[(2-methyl-1,3-thiazol-5-yl)methyl]naphthalen-2-amine
CID 60942096

Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol?
The IUPAC name of [2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol (CID 54880114) is [2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol.
What is the SMILES notation for [2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol?
The canonical SMILES for [2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol is CCOc1ccc(NCc2cnc(C)s2)cc1CO.
What is the InChIKey of [2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol?
The InChIKey is NMTMYYVIEFQCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-18-14-5-4-12(6-11(14)9-17)16-8-13-7-15-10(2)19-13/h4-7,16-17H,3,8-9H2,1-2H3.
What are the key properties of [2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol?
[2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol has a molecular weight of 278.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]phenyl]methanol is sourced from PubChem (CID 54880114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).