[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol

C14H18N2OS — CID 104579447

IUPAC[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
SMILESCc1nc(C(C)NCc2ccc(CO)cc2)cs1
InChIInChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-7-12-3-5-13(8-17)6-4-12/h3-6,9-10,15,17H,7-8H2,1-2H3
InChIKeyJQPSKRJVKHPBDZ-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.79
Rot. Bonds5

About [4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol

[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol (PubChem CID 104579447) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
PubChem CID104579447
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
SMILESCc1nc(C(C)NCc2ccc(CO)cc2)cs1
InChIInChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-7-12-3-5-13(8-17)6-4-12/h3-6,9-10,15,17H,7-8H2,1-2H3
InChIKeyJQPSKRJVKHPBDZ-UHFFFAOYSA-N
XLogP2.79
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol with MolForge

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670104
(1S)-N-[(4-methoxyphenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 92763777
2-methyl-3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propane-1,2-diol
CID 66168316
1-(2-methyl-1,3-thiazol-4-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 54944257
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]butan-1-amine
CID 43670043
2,2-difluoro-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]ethanamine
CID 115405653
2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]propan-1-ol
CID 43670319
(2R)-2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]butan-1-ol
CID 103922658
1-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 103907022
[4-[[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol
CID 106044942
3-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]pentan-1-ol
CID 115748046
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-propylaniline
CID 43670202

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol?
The IUPAC name of [4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol (CID 104579447) is [4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol is Cc1nc(C(C)NCc2ccc(CO)cc2)cs1.
What is the InChIKey of [4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol?
The InChIKey is JQPSKRJVKHPBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-10(14-9-18-11(2)16-14)15-7-12-3-5-13(8-17)6-4-12/h3-6,9-10,15,17H,7-8H2,1-2H3.
What are the key properties of [4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol?
[4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol has a molecular weight of 262.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]methyl]phenyl]methanol is sourced from PubChem (CID 104579447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).