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

C16H20N2O2S — CID 175037646

IUPAC[2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol
SMILESC[C@H]1COCCN1Cc1ccc(-c2nc(CO)cs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-10-20-7-6-18(12)8-13-2-4-14(5-3-13)16-17-15(9-19)11-21-16/h2-5,11-12,19H,6-10H2,1H3/t12-/m0/s1
InChIKeyFUBIANFYKFKIKM-LBPRGKRZSA-N
MW304.42 g/mol
LogP2.52
Rot. Bonds4

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

[2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol (PubChem CID 175037646) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is [2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol
PubChem CID175037646
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name[2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol
SMILESC[C@H]1COCCN1Cc1ccc(-c2nc(CO)cs2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-10-20-7-6-18(12)8-13-2-4-14(5-3-13)16-17-15(9-19)11-21-16/h2-5,11-12,19H,6-10H2,1H3/t12-/m0/s1
InChIKeyFUBIANFYKFKIKM-LBPRGKRZSA-N
XLogP2.52
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol?
The IUPAC name of [2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol (CID 175037646) is [2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol.
What is the SMILES notation for [2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol?
The canonical SMILES for [2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol is C[C@H]1COCCN1Cc1ccc(-c2nc(CO)cs2)cc1.
What is the InChIKey of [2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol?
The InChIKey is FUBIANFYKFKIKM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-10-20-7-6-18(12)8-13-2-4-14(5-3-13)16-17-15(9-19)11-21-16/h2-5,11-12,19H,6-10H2,1H3/t12-/m0/s1.
What are the key properties of [2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol?
[2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol has a molecular weight of 304.42 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[[(3S)-3-methylmorpholin-4-yl]methyl]phenyl]-1,3-thiazol-4-yl]methanol is sourced from PubChem (CID 175037646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).