4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol

C16H20N2O2S — CID 78942180

IUPAC4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2nc(-c3ccccc3)cs2)CCOCC1
InChIInChI=1S/C16H20N2O2S/c19-16(6-8-20-9-7-16)12-17-10-15-18-14(11-21-15)13-4-2-1-3-5-13/h1-5,11,17,19H,6-10,12H2
InChIKeyZUKKHKOXKIOGGK-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.44
Rot. Bonds5

About 4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol

4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol (PubChem CID 78942180) has the molecular formula C16H20N2O2S and a molecular weight of 304.41 g/mol. Its IUPAC name is 4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
PubChem CID78942180
Molecular FormulaC16H20N2O2S
Molecular Weight304.41 g/mol
Exact Mass304.12
IUPAC Name4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
SMILESOC1(CNCc2nc(-c3ccccc3)cs2)CCOCC1
InChIInChI=1S/C16H20N2O2S/c19-16(6-8-20-9-7-16)12-17-10-15-18-14(11-21-15)13-4-2-1-3-5-13/h1-5,11,17,19H,6-10,12H2
InChIKeyZUKKHKOXKIOGGK-UHFFFAOYSA-N
XLogP2.44
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 63934325
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-4-amine
CID 83011895
4-[[(2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]oxan-4-ol
CID 111698359
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
4-[(thiophen-2-ylmethylamino)methyl]oxan-4-ol
CID 78928808
4-[[(2-hydroxyphenyl)methylamino]methyl]oxan-4-ol
CID 78929051
[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
CID 62900743
3-[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]methyl]oxolan-3-ol
CID 114143438
[3-[(4-phenyl-1,3-thiazol-2-yl)methylamino]phenyl]methanol
CID 62900357
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 62900910
1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 133447637

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol (CID 78942180) is 4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol is OC1(CNCc2nc(-c3ccccc3)cs2)CCOCC1.
What is the InChIKey of 4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is ZUKKHKOXKIOGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c19-16(6-8-20-9-7-16)12-17-10-15-18-14(11-21-15)13-4-2-1-3-5-13/h1-5,11,17,19H,6-10,12H2.
What are the key properties of 4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol?
4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 304.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 78942180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).