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

C14H17FN2O2S — CID 107511017

IUPAC[2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(N(C)Cc2ccc(F)cc2)sc1CO
InChIInChI=1S/C14H17FN2O2S/c1-17(7-10-3-5-11(15)6-4-10)14-16-12(9-19-2)13(8-18)20-14/h3-6,18H,7-9H2,1-2H3
InChIKeyGVJDLBQQVRLONV-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.56
Rot. Bonds6

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

[2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (PubChem CID 107511017) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is [2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
PubChem CID107511017
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC Name[2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
SMILESCOCc1nc(N(C)Cc2ccc(F)cc2)sc1CO
InChIInChI=1S/C14H17FN2O2S/c1-17(7-10-3-5-11(15)6-4-10)14-16-12(9-19-2)13(8-18)20-14/h3-6,18H,7-9H2,1-2H3
InChIKeyGVJDLBQQVRLONV-UHFFFAOYSA-N
XLogP2.56
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510880
2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 107509365
[4-(methoxymethyl)-2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510918
[2-[benzyl(methyl)amino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 62780142
[2-(N,4-dimethylanilino)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107510960
5-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62778968
[4-(methoxymethyl)-2-[methyl(2-methylbutyl)amino]-1,3-thiazol-5-yl]methanol
CID 107510895
[4-(methoxymethyl)-2-[methyl(propan-2-yl)amino]-1,3-thiazol-5-yl]methanol
CID 107510871
4-(methoxymethyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 107508949
[2-[(4-chlorophenyl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79392577
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazol-2-amine
CID 107510180
[2-[(3-chlorophenyl)methyl-methylamino]-4-ethyl-1,3-thiazol-5-yl]methanol
CID 55117529

Frequently Asked Questions

What is the IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol (CID 107511017) is [2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is COCc1nc(N(C)Cc2ccc(F)cc2)sc1CO.
What is the InChIKey of [2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is GVJDLBQQVRLONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-17(7-10-3-5-11(15)6-4-10)14-16-12(9-19-2)13(8-18)20-14/h3-6,18H,7-9H2,1-2H3.
What are the key properties of [2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol?
[2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 296.37 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-fluorophenyl)methyl-methylamino]-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 107511017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).