[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol

C14H18N2OS — CID 43743080

IUPAC[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol
SMILESCc1nc(C(C)Nc2ccccc2CO)c(C)s1
InChIInChI=1S/C14H18N2OS/c1-9(14-10(2)18-11(3)16-14)15-13-7-5-4-6-12(13)8-17/h4-7,9,15,17H,8H2,1-3H3
InChIKeySXKMCGDFBFEBBQ-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.43
Rot. Bonds4

About [2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol

[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol (PubChem CID 43743080) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is [2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol
PubChem CID43743080
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol
SMILESCc1nc(C(C)Nc2ccccc2CO)c(C)s1
InChIInChI=1S/C14H18N2OS/c1-9(14-10(2)18-11(3)16-14)15-13-7-5-4-6-12(13)8-17/h4-7,9,15,17H,8H2,1-3H3
InChIKeySXKMCGDFBFEBBQ-UHFFFAOYSA-N
XLogP3.43
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol?
The IUPAC name of [2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol (CID 43743080) is [2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol.
What is the SMILES notation for [2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol?
The canonical SMILES for [2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol is Cc1nc(C(C)Nc2ccccc2CO)c(C)s1.
What is the InChIKey of [2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol?
The InChIKey is SXKMCGDFBFEBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-9(14-10(2)18-11(3)16-14)15-13-7-5-4-6-12(13)8-17/h4-7,9,15,17H,8H2,1-3H3.
What are the key properties of [2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol?
[2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol has a molecular weight of 262.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol is sourced from PubChem (CID 43743080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).