3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde

C15H16ClNO3S — CID 61487588

IUPAC3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCCCc1nc(COc2c(Cl)cc(C=O)cc2OC)cs1
InChIInChI=1S/C15H16ClNO3S/c1-3-4-14-17-11(9-21-14)8-20-15-12(16)5-10(7-18)6-13(15)19-2/h5-7,9H,3-4,8H2,1-2H3
InChIKeyGEYRPHVSLULUDC-UHFFFAOYSA-N
MW325.82 g/mol
LogP4.15
Rot. Bonds7

About 3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde

3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde (PubChem CID 61487588) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
PubChem CID61487588
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC Name3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
SMILESCCCc1nc(COc2c(Cl)cc(C=O)cc2OC)cs1
InChIInChI=1S/C15H16ClNO3S/c1-3-4-14-17-11(9-21-14)8-20-15-12(16)5-10(7-18)6-13(15)19-2/h5-7,9H,3-4,8H2,1-2H3
InChIKeyGEYRPHVSLULUDC-UHFFFAOYSA-N
XLogP4.15
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-methoxybenzaldehyde
CID 61484196
3,5-dimethoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 16769172
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646171
1-[3,5-dichloro-2-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 61487461
[3-bromo-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]methanol
CID 61487504
3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-methoxybenzaldehyde
CID 28897739
3-chloro-4-(2-ethylsulfonylethoxy)-5-methoxybenzaldehyde
CID 43807823
3-chloro-5-methoxy-4-(2-propoxyethoxy)benzaldehyde
CID 106453019
3-chloro-5-methoxy-4-[2-(4-propylphenoxy)ethoxy]benzaldehyde
CID 20992812
2-[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methoxyphenyl]ethanamine
CID 104666894
3,5-dimethyl-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzoic acid
CID 61487704
4-(2-bromoethoxy)-3-chloro-5-methoxybenzaldehyde
CID 22999110

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The IUPAC name of 3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde (CID 61487588) is 3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde is CCCc1nc(COc2c(Cl)cc(C=O)cc2OC)cs1.
What is the InChIKey of 3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
The InChIKey is GEYRPHVSLULUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-3-4-14-17-11(9-21-14)8-20-15-12(16)5-10(7-18)6-13(15)19-2/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde?
3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde has a molecular weight of 325.82 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-[(2-propyl-1,3-thiazol-4-yl)methoxy]benzaldehyde is sourced from PubChem (CID 61487588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).