2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol

C12H14N2O2S — CID 113373098

IUPAC2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol
SMILESCOc1cccc(NC(CO)c2cncs2)c1
InChIInChI=1S/C12H14N2O2S/c1-16-10-4-2-3-9(5-10)14-11(7-15)12-6-13-8-17-12/h2-6,8,11,14-15H,7H2,1H3
InChIKeyOFYXLBVTCDHMFF-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.30
Rot. Bonds5

About 2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol

2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol (PubChem CID 113373098) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol
PubChem CID113373098
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol
SMILESCOc1cccc(NC(CO)c2cncs2)c1
InChIInChI=1S/C12H14N2O2S/c1-16-10-4-2-3-9(5-10)14-11(7-15)12-6-13-8-17-12/h2-6,8,11,14-15H,7H2,1H3
InChIKeyOFYXLBVTCDHMFF-UHFFFAOYSA-N
XLogP2.30
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dichlorophenyl)-2-(3-methoxyanilino)ethanol
CID 61048677
2-fluoro-4-[2-hydroxy-1-(3-methoxyanilino)ethyl]phenol
CID 107693461
1-(3-methoxyphenyl)-N-[1-(1,3-thiazol-5-yl)ethyl]ethanamine
CID 113260329
2-(3-methoxyanilino)pentan-1-ol
CID 61050273
3-[2-(dimethylamino)ethoxy]-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928826
3-ethyl-2-(3-methoxyanilino)pentan-1-ol
CID 61318317
3-methoxy-N-[1-(4-methoxyphenyl)propyl]aniline
CID 43196395
N-(3-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66119415
1-(2,6-difluorophenyl)-N-(3-methoxyphenyl)ethane-1,2-diamine
CID 65376485
3-methoxy-N-[(2S,3S)-3-methylpentan-2-yl]aniline
CID 28548125
2-(3-methoxyanilino)-2-(1,3-thiazol-2-yl)acetamide
CID 113373008
2-(3-methoxyanilino)-2-(oxan-4-yl)ethanol
CID 62392316

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol?
The IUPAC name of 2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol (CID 113373098) is 2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol is COc1cccc(NC(CO)c2cncs2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol?
The InChIKey is OFYXLBVTCDHMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-16-10-4-2-3-9(5-10)14-11(7-15)12-6-13-8-17-12/h2-6,8,11,14-15H,7H2,1H3.
What are the key properties of 2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol?
2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol has a molecular weight of 250.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-(1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 113373098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).