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

C10H9NOS — CID 20504202

IUPAC2-phenyl-3H-1,2-thiazole-4-carbaldehyde
SMILESO=CC1=CSN(c2ccccc2)C1
InChIInChI=1S/C10H9NOS/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2
InChIKeyIISSIMYRIBOOFQ-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.24
Rot. Bonds2

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

2-phenyl-3H-1,2-thiazole-4-carbaldehyde (PubChem CID 20504202) has the molecular formula C10H9NOS and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-phenyl-3H-1,2-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-3H-1,2-thiazole-4-carbaldehyde
PubChem CID20504202
Molecular FormulaC10H9NOS
Molecular Weight191.26 g/mol
Exact Mass191.04
IUPAC Name2-phenyl-3H-1,2-thiazole-4-carbaldehyde
SMILESO=CC1=CSN(c2ccccc2)C1
InChIInChI=1S/C10H9NOS/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2
InChIKeyIISSIMYRIBOOFQ-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enyl-3H-1,2-thiazole-4-carbaldehyde
CID 118065606
4-(thiazetidin-2-yl)benzaldehyde
CID 144621391
benzene;terephthalaldehyde
CID 163498156
formic acid;3-phenyl-3-azabicyclo[3.1.0]hexane
CID 142422477
5-[4-(5-formylthiophen-2-yl)-2,5-dioxo-1-phenylpyrrol-3-yl]thiophene-2-carbaldehyde
CID 102465887
7H-benzo[7]annulene-6,8-dicarbaldehyde
CID 14195628
2-phenyl-1,3,2-dithiazole
CID 90302713
4-phenyl-1,2,4-dithiazolidine
CID 101427405
3-cyclopropyl-1-phenylpyrazole-4-carbaldehyde
CID 83885760
4-(thiazinan-2-yl)benzaldehyde
CID 88600933
1,4-diphenyl-1,4-diazepane-5,7-dione
CID 13379326
1-phenyl-1,2,4-triazole-3-carbaldehyde
CID 15707892

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3H-1,2-thiazole-4-carbaldehyde?
The IUPAC name of 2-phenyl-3H-1,2-thiazole-4-carbaldehyde (CID 20504202) is 2-phenyl-3H-1,2-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-phenyl-3H-1,2-thiazole-4-carbaldehyde?
The canonical SMILES for 2-phenyl-3H-1,2-thiazole-4-carbaldehyde is O=CC1=CSN(c2ccccc2)C1.
What is the InChIKey of 2-phenyl-3H-1,2-thiazole-4-carbaldehyde?
The InChIKey is IISSIMYRIBOOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10/h1-5,7-8H,6H2.
What are the key properties of 2-phenyl-3H-1,2-thiazole-4-carbaldehyde?
2-phenyl-3H-1,2-thiazole-4-carbaldehyde has a molecular weight of 191.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3H-1,2-thiazole-4-carbaldehyde is sourced from PubChem (CID 20504202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).