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

C13H16N2OS — CID 43743338

IUPAC[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol
SMILESCc1nc(C(C)Nc2ccccc2CO)cs1
InChIInChI=1S/C13H16N2OS/c1-9(13-8-17-10(2)15-13)14-12-6-4-3-5-11(12)7-16/h3-6,8-9,14,16H,7H2,1-2H3
InChIKeyDCZUNIWQEKJHRF-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.12
Rot. Bonds4

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

[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol (PubChem CID 43743338) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol.

Molecular Properties

Compound Name[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol
PubChem CID43743338
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol
SMILESCc1nc(C(C)Nc2ccccc2CO)cs1
InChIInChI=1S/C13H16N2OS/c1-9(13-8-17-10(2)15-13)14-12-6-4-3-5-11(12)7-16/h3-6,8-9,14,16H,7H2,1-2H3
InChIKeyDCZUNIWQEKJHRF-UHFFFAOYSA-N
XLogP3.12
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol?
The IUPAC name of [2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol (CID 43743338) is [2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol.
What is the SMILES notation for [2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol?
The canonical SMILES for [2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol is Cc1nc(C(C)Nc2ccccc2CO)cs1.
What is the InChIKey of [2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol?
The InChIKey is DCZUNIWQEKJHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9(13-8-17-10(2)15-13)14-12-6-4-3-5-11(12)7-16/h3-6,8-9,14,16H,7H2,1-2H3.
What are the key properties of [2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol?
[2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol has a molecular weight of 248.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(2-methyl-1,3-thiazol-4-yl)ethylamino]phenyl]methanol is sourced from PubChem (CID 43743338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).