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

C13H16N2OS — CID 55111939

IUPAC[2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol
SMILESCc1cc(C)cc(N(C)c2ncc(CO)s2)c1
InChIInChI=1S/C13H16N2OS/c1-9-4-10(2)6-11(5-9)15(3)13-14-7-12(8-16)17-13/h4-7,16H,8H2,1-3H3
InChIKeyASVTYYXNYIUGRV-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.02
Rot. Bonds3

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

[2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol (PubChem CID 55111939) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol
PubChem CID55111939
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol
SMILESCc1cc(C)cc(N(C)c2ncc(CO)s2)c1
InChIInChI=1S/C13H16N2OS/c1-9-4-10(2)6-11(5-9)15(3)13-14-7-12(8-16)17-13/h4-7,16H,8H2,1-3H3
InChIKeyASVTYYXNYIUGRV-UHFFFAOYSA-N
XLogP3.02
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol (CID 55111939) is [2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol is Cc1cc(C)cc(N(C)c2ncc(CO)s2)c1.
What is the InChIKey of [2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol?
The InChIKey is ASVTYYXNYIUGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-4-10(2)6-11(5-9)15(3)13-14-7-12(8-16)17-13/h4-7,16H,8H2,1-3H3.
What are the key properties of [2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol?
[2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol has a molecular weight of 248.35 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N,3,5-trimethylanilino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55111939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).