3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde

C11H9NO2S — CID 155289704

IUPAC3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde
SMILESO=Cc1cccc(-c2nc(CO)cs2)c1
InChIInChI=1S/C11H9NO2S/c13-5-8-2-1-3-9(4-8)11-12-10(6-14)7-15-11/h1-5,7,14H,6H2
InChIKeyLBCLNSWPEWTTPG-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.11
Rot. Bonds3

About 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde

3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde (PubChem CID 155289704) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde
PubChem CID155289704
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde
SMILESO=Cc1cccc(-c2nc(CO)cs2)c1
InChIInChI=1S/C11H9NO2S/c13-5-8-2-1-3-9(4-8)11-12-10(6-14)7-15-11/h1-5,7,14H,6H2
InChIKeyLBCLNSWPEWTTPG-UHFFFAOYSA-N
XLogP2.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-[3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-4-yl]methanol
CID 10828361
4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 136889589
[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-4-yl]methanol
CID 107504757
[2-(2,6-dichlorophenyl)-1,3-thiazol-4-yl]methanol
CID 66801740
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222
[2-(1H-pyrrol-3-yl)-1,3-thiazol-4-yl]methanol
CID 136988851
3-[4-(ethylaminomethyl)-1,3-thiazol-2-yl]phenol
CID 107921704
1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]propan-2-one
CID 115089439
(2-phenyl-1,3-thiazol-4-yl)methyl 3-phenylprop-2-enoate
CID 3675548
6-[4-(hydroxymethyl)-1,3-thiazol-2-yl]pyridine-2-carboxylic acid
CID 121344488
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde?
The IUPAC name of 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde (CID 155289704) is 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde.
What is the SMILES notation for 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde?
The canonical SMILES for 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde is O=Cc1cccc(-c2nc(CO)cs2)c1.
What is the InChIKey of 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde?
The InChIKey is LBCLNSWPEWTTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-5-8-2-1-3-9(4-8)11-12-10(6-14)7-15-11/h1-5,7,14H,6H2.
What are the key properties of 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde?
3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde has a molecular weight of 219.27 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzaldehyde is sourced from PubChem (CID 155289704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).