4-phenyl-1,3-thiazole-2-carbaldehyde

C10H7NOS — CID 3538814

IUPAC4-phenyl-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C10H7NOS/c12-6-10-11-9(7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyDJWIXPPOXVIXSZ-UHFFFAOYSA-N
MW189.24 g/mol
LogP2.62
Rot. Bonds2

About 4-phenyl-1,3-thiazole-2-carbaldehyde

4-phenyl-1,3-thiazole-2-carbaldehyde (PubChem CID 3538814) has the molecular formula C10H7NOS and a molecular weight of 189.24 g/mol. Its IUPAC name is 4-phenyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-phenyl-1,3-thiazole-2-carbaldehyde
PubChem CID3538814
Molecular FormulaC10H7NOS
Molecular Weight189.24 g/mol
Exact Mass189.02
IUPAC Name4-phenyl-1,3-thiazole-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C10H7NOS/c12-6-10-11-9(7-13-10)8-4-2-1-3-5-8/h1-7H
InChIKeyDJWIXPPOXVIXSZ-UHFFFAOYSA-N
XLogP2.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 52.62
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-[4-(2-phenoxyethoxy)phenyl]-1,3-thiazole-2-carbaldehyde
CID 3676431
1-(4-phenyl-1,3-thiazol-2-yl)prop-1-en-2-amine
CID 70042347
4-(1-benzothiophen-3-yl)-1,3-thiazole-2-carbaldehyde
CID 116867326
4-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenol
CID 135409428
4-(3,4-dimethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3454152
4-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817502
4-[3-(tetrazol-1-yl)phenyl]-1,3-thiazole-2-carbaldehyde
CID 62927731
4-(6-methoxynaphthalen-2-yl)-1,3-thiazole-2-carbaldehyde
CID 116867332
2-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzaldehyde
CID 79817395
4-(3-tert-butyl-4-phenylmethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3700203
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
4-(3,4-diethoxyphenyl)-1,3-thiazole-2-carbaldehyde
CID 3744151

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-phenyl-1,3-thiazole-2-carbaldehyde (CID 3538814) is 4-phenyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-phenyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-phenyl-1,3-thiazole-2-carbaldehyde is O=Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-phenyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is DJWIXPPOXVIXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NOS/c12-6-10-11-9(7-13-10)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-phenyl-1,3-thiazole-2-carbaldehyde?
4-phenyl-1,3-thiazole-2-carbaldehyde has a molecular weight of 189.24 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 3538814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).