1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol

C13H16N2OS — CID 54506231

IUPAC1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol
SMILESCc1nc(Nc2ccc(C(C)O)cc2)sc1C
InChIInChI=1S/C13H16N2OS/c1-8-10(3)17-13(14-8)15-12-6-4-11(5-7-12)9(2)16/h4-7,9,16H,1-3H3,(H,14,15)
InChIKeyNLFRNNNSQOQYQA-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.56
Rot. Bonds3

About 1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol

1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol (PubChem CID 54506231) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol
PubChem CID54506231
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol
SMILESCc1nc(Nc2ccc(C(C)O)cc2)sc1C
InChIInChI=1S/C13H16N2OS/c1-8-10(3)17-13(14-8)15-12-6-4-11(5-7-12)9(2)16/h4-7,9,16H,1-3H3,(H,14,15)
InChIKeyNLFRNNNSQOQYQA-UHFFFAOYSA-N
XLogP3.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol?
The IUPAC name of 1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol (CID 54506231) is 1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol.
What is the SMILES notation for 1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol?
The canonical SMILES for 1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol is Cc1nc(Nc2ccc(C(C)O)cc2)sc1C.
What is the InChIKey of 1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol?
The InChIKey is NLFRNNNSQOQYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-10(3)17-13(14-8)15-12-6-4-11(5-7-12)9(2)16/h4-7,9,16H,1-3H3,(H,14,15).
What are the key properties of 1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol?
1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol has a molecular weight of 248.35 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]phenyl]ethanol is sourced from PubChem (CID 54506231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).