4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde

C11H9NOS — CID 820976

IUPAC4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde
SMILESCc1nc(-c2ccc(C=O)cc2)cs1
InChIInChI=1S/C11H9NOS/c1-8-12-11(7-14-8)10-4-2-9(6-13)3-5-10/h2-7H,1H3
InChIKeyKZEOQFIBKXJGEX-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.93
Rot. Bonds2

About 4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde

4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde (PubChem CID 820976) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde
PubChem CID820976
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde
SMILESCc1nc(-c2ccc(C=O)cc2)cs1
InChIInChI=1S/C11H9NOS/c1-8-12-11(7-14-8)10-4-2-9(6-13)3-5-10/h2-7H,1H3
InChIKeyKZEOQFIBKXJGEX-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
1-(2-Phenyl-1,3-thiazol-4-yl)ethan-1-one
CID 604819
2-(4-p-Tolyl-thiazol-2-yl)-acetamide
CID 1079159
4-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
CID 654980
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
2-Phenyl-1,3-thiazole-4-carbaldehyde
CID 736524
N-methyl-4-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 1483692
[4-(2-Methyl-1,3-thiazol-4-yl)phenyl](morpholin-4-yl)methanone
CID 2968134
N-(3-methoxypropyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 4985633
[4-(2-Methyl-1,3-thiazol-4-yl)phenyl](pyrrolidin-1-yl)methanone
CID 5151446
N-(2-hydroxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 5215878
N-(2-methoxyethyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 5226375

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde?
The IUPAC name of 4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde (CID 820976) is 4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde.
What is the SMILES notation for 4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde?
The canonical SMILES for 4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde is Cc1nc(-c2ccc(C=O)cc2)cs1.
What is the InChIKey of 4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde?
The InChIKey is KZEOQFIBKXJGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-8-12-11(7-14-8)10-4-2-9(6-13)3-5-10/h2-7H,1H3.
What are the key properties of 4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde?
4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde has a molecular weight of 203.27 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-thiazol-4-yl)benzaldehyde is sourced from PubChem (CID 820976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).