1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol

C14H18N2OS — CID 64545008

IUPAC1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol
SMILESCc1cc(C)cc(N(C)c2nc(C(C)O)cs2)c1
InChIInChI=1S/C14H18N2OS/c1-9-5-10(2)7-12(6-9)16(4)14-15-13(8-18-14)11(3)17/h5-8,11,17H,1-4H3
InChIKeyMCJLXPLMJBXXEV-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.58
Rot. Bonds3

About 1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol

1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol (PubChem CID 64545008) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol
PubChem CID64545008
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol
SMILESCc1cc(C)cc(N(C)c2nc(C(C)O)cs2)c1
InChIInChI=1S/C14H18N2OS/c1-9-5-10(2)7-12(6-9)16(4)14-15-13(8-18-14)11(3)17/h5-8,11,17H,1-4H3
InChIKeyMCJLXPLMJBXXEV-UHFFFAOYSA-N
XLogP3.58
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol?
The IUPAC name of 1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol (CID 64545008) is 1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol.
What is the SMILES notation for 1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol?
The canonical SMILES for 1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol is Cc1cc(C)cc(N(C)c2nc(C(C)O)cs2)c1.
What is the InChIKey of 1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol?
The InChIKey is MCJLXPLMJBXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9-5-10(2)7-12(6-9)16(4)14-15-13(8-18-14)11(3)17/h5-8,11,17H,1-4H3.
What are the key properties of 1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol?
1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol has a molecular weight of 262.38 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N,3,5-trimethylanilino)-1,3-thiazol-4-yl]ethanol is sourced from PubChem (CID 64545008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).