2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal

C7H8FNOS — CID 174436063

IUPAC2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal
SMILESCc1nc(CC(F)C=O)cs1
InChIInChI=1S/C7H8FNOS/c1-5-9-7(4-11-5)2-6(8)3-10/h3-4,6H,2H2,1H3
InChIKeyDUKFCHDRYDVWKF-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.53
Rot. Bonds3

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

2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal (PubChem CID 174436063) has the molecular formula C7H8FNOS and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal.

Molecular Properties

Compound Name2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal
PubChem CID174436063
Molecular FormulaC7H8FNOS
Molecular Weight173.21 g/mol
Exact Mass173.03
IUPAC Name2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal
SMILESCc1nc(CC(F)C=O)cs1
InChIInChI=1S/C7H8FNOS/c1-5-9-7(4-11-5)2-6(8)3-10/h3-4,6H,2H2,1H3
InChIKeyDUKFCHDRYDVWKF-UHFFFAOYSA-N
XLogP1.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal?
The IUPAC name of 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal (CID 174436063) is 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal.
What is the SMILES notation for 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal?
The canonical SMILES for 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal is Cc1nc(CC(F)C=O)cs1.
What is the InChIKey of 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal?
The InChIKey is DUKFCHDRYDVWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNOS/c1-5-9-7(4-11-5)2-6(8)3-10/h3-4,6H,2H2,1H3.
What are the key properties of 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal?
2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal has a molecular weight of 173.21 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2-methyl-1,3-thiazol-4-yl)propanal is sourced from PubChem (CID 174436063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).