2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde

C13H11NO2S — CID 65404990

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(C2CCOc3ccccc32)s1
InChIInChI=1S/C13H11NO2S/c15-8-9-7-14-13(17-9)11-5-6-16-12-4-2-1-3-10(11)12/h1-4,7-8,11H,5-6H2
InChIKeyBIPLQOJOJFIADK-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.87
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde

2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 65404990) has the molecular formula C13H11NO2S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID65404990
Molecular FormulaC13H11NO2S
Molecular Weight245.30 g/mol
Exact Mass245.05
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1cnc(C2CCOc3ccccc32)s1
InChIInChI=1S/C13H11NO2S/c15-8-9-7-14-13(17-9)11-5-6-16-12-4-2-1-3-10(11)12/h1-4,7-8,11H,5-6H2
InChIKeyBIPLQOJOJFIADK-UHFFFAOYSA-N
XLogP2.87
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.87
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

methyl 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carboxylate
CID 80572524
2-(3,4-dihydro-2H-chromen-4-yl)-1H-imidazole-5-carbaldehyde
CID 65404715
2-[(2S)-oxolan-2-yl]-1,3-thiazole-5-carbaldehyde
CID 92669690
4-(chloromethyl)-2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole
CID 65406536
1-(3,4-dihydro-2H-chromen-4-ylmethyl)imidazole-2-carbaldehyde
CID 104769066
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 65406397
4-(3,4-dihydro-2H-chromen-4-yl)-N,N-dimethylimidazole-1-sulfonamide
CID 57243248
[2-(3,4-dihydro-2H-chromen-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361553
2-[(1S,2R)-2-methylcyclopropyl]-1,3-thiazole-5-carbaldehyde
CID 96839529
3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-amine
CID 65406401
3-(3,4-dihydro-2H-chromen-4-yl)propanal
CID 104771097
1-[2-(3,4-dihydro-2H-chromen-4-yl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 104841063

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde (CID 65404990) is 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1cnc(C2CCOc3ccccc32)s1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is BIPLQOJOJFIADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2S/c15-8-9-7-14-13(17-9)11-5-6-16-12-4-2-1-3-10(11)12/h1-4,7-8,11H,5-6H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde?
2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 245.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 65404990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).