[4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol

C11H11FN2OS — CID 141415819

IUPAC[4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol
SMILESCNc1nc(-c2ccc(F)cc2)c(CO)s1
InChIInChI=1S/C11H11FN2OS/c1-13-11-14-10(9(6-15)16-11)7-2-4-8(12)5-3-7/h2-5,15H,6H2,1H3,(H,13,14)
InChIKeyVTNWNDRYKVYFEQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.48
Rot. Bonds3

About [4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol

[4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol (PubChem CID 141415819) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol
PubChem CID141415819
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name[4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol
SMILESCNc1nc(-c2ccc(F)cc2)c(CO)s1
InChIInChI=1S/C11H11FN2OS/c1-13-11-14-10(9(6-15)16-11)7-2-4-8(12)5-3-7/h2-5,15H,6H2,1H3,(H,13,14)
InChIKeyVTNWNDRYKVYFEQ-UHFFFAOYSA-N
XLogP2.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol (CID 141415819) is [4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol is CNc1nc(-c2ccc(F)cc2)c(CO)s1.
What is the InChIKey of [4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol?
The InChIKey is VTNWNDRYKVYFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c1-13-11-14-10(9(6-15)16-11)7-2-4-8(12)5-3-7/h2-5,15H,6H2,1H3,(H,13,14).
What are the key properties of [4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol?
[4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol has a molecular weight of 238.29 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 141415819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).