3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde

C12H10FNO2S — CID 103850098

IUPAC3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde
SMILESCc1csc(COc2ccc(C=O)cc2F)n1
InChIInChI=1S/C12H10FNO2S/c1-8-7-17-12(14-8)6-16-11-3-2-9(5-15)4-10(11)13/h2-5,7H,6H2,1H3
InChIKeyOUZYLNBPLDYRMT-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.98
Rot. Bonds4

About 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde

3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde (PubChem CID 103850098) has the molecular formula C12H10FNO2S and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde
PubChem CID103850098
Molecular FormulaC12H10FNO2S
Molecular Weight251.28 g/mol
Exact Mass251.04
IUPAC Name3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde
SMILESCc1csc(COc2ccc(C=O)cc2F)n1
InChIInChI=1S/C12H10FNO2S/c1-8-7-17-12(14-8)6-16-11-3-2-9(5-15)4-10(11)13/h2-5,7H,6H2,1H3
InChIKeyOUZYLNBPLDYRMT-UHFFFAOYSA-N
XLogP2.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-Methylphenoxymethyl)-1,3-thiazol-4-yl]acetic acid
CID 4980640
3-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzoic acid
CID 7131859
Ethyl 2-((4-(1,3-dithiolan-2-yl)phenoxy)methyl)thiazole-4-carboxylate
CID 2743916
2,6-Difluoro-3-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 46236891
4-((2-Methyl-1,3-thiazol-4-yl)methoxy)benzaldehyde
CID 4962841
1-[4-[[2-(4-Fluorophenyl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
CID 8300008
2-[(2-Methyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 4962844
2-(4-Methylphenoxymethyl)-1,3-thiazole-4-carbaldehyde
CID 45792128
5-[(4-Methyl-1,3-thiazol-2-yl)methoxy]-2,3-dihydroinden-1-one
CID 99823349
4-[[2-[4-(Trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 11793052
4-[(3-Fluoro-4-methylphenoxy)methyl]-2-methyl-1,3-thiazole
CID 23377292
Tert-butyl 4-[4-[(4-acetyl-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 25026711

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde?
The IUPAC name of 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde (CID 103850098) is 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde is Cc1csc(COc2ccc(C=O)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde?
The InChIKey is OUZYLNBPLDYRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2S/c1-8-7-17-12(14-8)6-16-11-3-2-9(5-15)4-10(11)13/h2-5,7H,6H2,1H3.
What are the key properties of 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde?
3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde has a molecular weight of 251.28 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 103850098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).