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

C14H18N2OS — CID 110906009

IUPAC[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol
SMILESCCc1nc(CNCc2ccccc2CO)cs1
InChIInChI=1S/C14H18N2OS/c1-2-14-16-13(10-18-14)8-15-7-11-5-3-4-6-12(11)9-17/h3-6,10,15,17H,2,7-9H2,1H3
InChIKeySHANAOGIGSFVIR-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.49
Rot. Bonds6

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

[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol (PubChem CID 110906009) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol
PubChem CID110906009
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol
SMILESCCc1nc(CNCc2ccccc2CO)cs1
InChIInChI=1S/C14H18N2OS/c1-2-14-16-13(10-18-14)8-15-7-11-5-3-4-6-12(11)9-17/h3-6,10,15,17H,2,7-9H2,1H3
InChIKeySHANAOGIGSFVIR-UHFFFAOYSA-N
XLogP2.49
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol?
The IUPAC name of [2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol (CID 110906009) is [2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol.
What is the SMILES notation for [2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol?
The canonical SMILES for [2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol is CCc1nc(CNCc2ccccc2CO)cs1.
What is the InChIKey of [2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol?
The InChIKey is SHANAOGIGSFVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-2-14-16-13(10-18-14)8-15-7-11-5-3-4-6-12(11)9-17/h3-6,10,15,17H,2,7-9H2,1H3.
What are the key properties of [2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol?
[2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol has a molecular weight of 262.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2-ethyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]methanol is sourced from PubChem (CID 110906009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).