5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine

C14H18FN3O2S — CID 143930487

IUPAC5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine
SMILESCC(C)(O)c1ccc(-c2nc(C=O)c(N)s2)c(F)c1.CN
InChIInChI=1S/C13H13FN2O2S.CH5N/c1-13(2,18)7-3-4-8(9(14)5-7)12-16-10(6-17)11(15)19-12;1-2/h3-6,18H,15H2,1-2H3;2H2,1H3
InChIKeyFAKWWLZJMSSEFE-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.15
Rot. Bonds3

About 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine

5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine (PubChem CID 143930487) has the molecular formula C14H18FN3O2S and a molecular weight of 311.38 g/mol. Its IUPAC name is 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine.

Molecular Properties

Compound Name5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine
PubChem CID143930487
Molecular FormulaC14H18FN3O2S
Molecular Weight311.38 g/mol
Exact Mass311.11
IUPAC Name5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine
SMILESCC(C)(O)c1ccc(-c2nc(C=O)c(N)s2)c(F)c1.CN
InChIInChI=1S/C13H13FN2O2S.CH5N/c1-13(2,18)7-3-4-8(9(14)5-7)12-16-10(6-17)11(15)19-12;1-2/h3-6,18H,15H2,1-2H3;2H2,1H3
InChIKeyFAKWWLZJMSSEFE-UHFFFAOYSA-N
XLogP2.15
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine?
The IUPAC name of 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine (CID 143930487) is 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine.
What is the SMILES notation for 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine?
The canonical SMILES for 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine is CC(C)(O)c1ccc(-c2nc(C=O)c(N)s2)c(F)c1.CN.
What is the InChIKey of 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine?
The InChIKey is FAKWWLZJMSSEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S.CH5N/c1-13(2,18)7-3-4-8(9(14)5-7)12-16-10(6-17)11(15)19-12;1-2/h3-6,18H,15H2,1-2H3;2H2,1H3.
What are the key properties of 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine?
5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine has a molecular weight of 311.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-1,3-thiazole-4-carbaldehyde;methanamine is sourced from PubChem (CID 143930487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).