[2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol

C12H13FN2OS — CID 55117858

IUPAC[2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N(C)c2ccccc2F)sc1CO
InChIInChI=1S/C12H13FN2OS/c1-8-11(7-16)17-12(14-8)15(2)10-6-4-3-5-9(10)13/h3-6,16H,7H2,1-2H3
InChIKeyQEMXRKIGWIFJRG-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.85
Rot. Bonds3

About [2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol

[2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol (PubChem CID 55117858) has the molecular formula C12H13FN2OS and a molecular weight of 252.31 g/mol. Its IUPAC name is [2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol
PubChem CID55117858
Molecular FormulaC12H13FN2OS
Molecular Weight252.31 g/mol
Exact Mass252.07
IUPAC Name[2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol
SMILESCc1nc(N(C)c2ccccc2F)sc1CO
InChIInChI=1S/C12H13FN2OS/c1-8-11(7-16)17-12(14-8)15(2)10-6-4-3-5-9(10)13/h3-6,16H,7H2,1-2H3
InChIKeyQEMXRKIGWIFJRG-UHFFFAOYSA-N
XLogP2.85
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol (CID 55117858) is [2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol is Cc1nc(N(C)c2ccccc2F)sc1CO.
What is the InChIKey of [2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol?
The InChIKey is QEMXRKIGWIFJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2OS/c1-8-11(7-16)17-12(14-8)15(2)10-6-4-3-5-9(10)13/h3-6,16H,7H2,1-2H3.
What are the key properties of [2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol?
[2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol has a molecular weight of 252.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).