2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde

C12H11FN2OS — CID 62765916

IUPAC2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N(C)c2ccccc2F)sc1C=O
InChIInChI=1S/C12H11FN2OS/c1-8-11(7-16)17-12(14-8)15(2)10-6-4-3-5-9(10)13/h3-7H,1-2H3
InChIKeyLMPKKQKTWZFYRY-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.17
Rot. Bonds3

About 2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde

2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 62765916) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID62765916
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N(C)c2ccccc2F)sc1C=O
InChIInChI=1S/C12H11FN2OS/c1-8-11(7-16)17-12(14-8)15(2)10-6-4-3-5-9(10)13/h3-7H,1-2H3
InChIKeyLMPKKQKTWZFYRY-UHFFFAOYSA-N
XLogP3.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde (CID 62765916) is 2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(N(C)c2ccccc2F)sc1C=O.
What is the InChIKey of 2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is LMPKKQKTWZFYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-8-11(7-16)17-12(14-8)15(2)10-6-4-3-5-9(10)13/h3-7H,1-2H3.
What are the key properties of 2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde?
2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-N-methylanilino)-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 62765916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).