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

C10H9NOS — CID 175859622

IUPAC[2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol
SMILES[2H]c1nc(-c2ccccc2CO)cs1
InChIInChI=1S/C10H9NOS/c12-5-8-3-1-2-4-9(8)10-6-13-7-11-10/h1-4,6-7,12H,5H2/i7D
InChIKeyVQWTWKYSIRMEQD-WHRKIXHSSA-N
MW192.26 g/mol
LogP2.30
Rot. Bonds2

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

[2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol (PubChem CID 175859622) has the molecular formula C10H9NOS and a molecular weight of 192.26 g/mol. Its IUPAC name is [2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol
PubChem CID175859622
Molecular FormulaC10H9NOS
Molecular Weight192.26 g/mol
Exact Mass192.05
IUPAC Name[2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol
SMILES[2H]c1nc(-c2ccccc2CO)cs1
InChIInChI=1S/C10H9NOS/c12-5-8-3-1-2-4-9(8)10-6-13-7-11-10/h1-4,6-7,12H,5H2/i7D
InChIKeyVQWTWKYSIRMEQD-WHRKIXHSSA-N
XLogP2.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-amino-1,3-thiazol-4-yl)phenyl]methanol
CID 105459084
[2-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]methanol
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[2-(2-methylpyrimidin-4-yl)phenyl]methanol
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[2-(2-methylsulfanylpyrimidin-4-yl)phenyl]methanol
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[2-(5-methylthiophen-2-yl)phenyl]methanol
CID 164647346
[2-(1H-imidazol-2-yl)phenyl]methanol
CID 54081876
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
[2-[5-[2-(hydroxymethyl)phenyl]furan-2-yl]phenyl]methanol
CID 11334991
[2-[2-amino-6-(2-phenylphenyl)pyrimidin-4-yl]phenyl]methanol
CID 90688031
(2-quinolin-5-ylphenyl)methanol
CID 172649381
[2-(6-methyl-2-phenylpyrimidin-4-yl)phenyl]methanol
CID 56719373
3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
CID 53222725

Frequently Asked Questions

What is the IUPAC name of [2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol?
The IUPAC name of [2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol (CID 175859622) is [2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol.
What is the SMILES notation for [2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol?
The canonical SMILES for [2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol is [2H]c1nc(-c2ccccc2CO)cs1.
What is the InChIKey of [2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol?
The InChIKey is VQWTWKYSIRMEQD-WHRKIXHSSA-N. The full InChI is InChI=1S/C10H9NOS/c12-5-8-3-1-2-4-9(8)10-6-13-7-11-10/h1-4,6-7,12H,5H2/i7D.
What are the key properties of [2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol?
[2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol has a molecular weight of 192.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-deuterio-1,3-thiazol-4-yl)phenyl]methanol is sourced from PubChem (CID 175859622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).