2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide

C19H18FN3O2S — CID 70869891

IUPAC2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2sc(N)c(C(N)=O)c2-c2ccccn2)c(F)c1
InChIInChI=1S/C19H18FN3O2S/c1-19(2,25)10-6-7-11(12(20)9-10)16-14(13-5-3-4-8-23-13)15(17(21)24)18(22)26-16/h3-9,25H,22H2,1-2H3,(H2,21,24)
InChIKeyQRWHJSBKXWMLIL-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.52
Rot. Bonds4

About 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide

2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide (PubChem CID 70869891) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide
PubChem CID70869891
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide
SMILESCC(C)(O)c1ccc(-c2sc(N)c(C(N)=O)c2-c2ccccn2)c(F)c1
InChIInChI=1S/C19H18FN3O2S/c1-19(2,25)10-6-7-11(12(20)9-10)16-14(13-5-3-4-8-23-13)15(17(21)24)18(22)26-16/h3-9,25H,22H2,1-2H3,(H2,21,24)
InChIKeyQRWHJSBKXWMLIL-UHFFFAOYSA-N
XLogP3.52
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide?
The IUPAC name of 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide (CID 70869891) is 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide is CC(C)(O)c1ccc(-c2sc(N)c(C(N)=O)c2-c2ccccn2)c(F)c1.
What is the InChIKey of 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide?
The InChIKey is QRWHJSBKXWMLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-19(2,25)10-6-7-11(12(20)9-10)16-14(13-5-3-4-8-23-13)15(17(21)24)18(22)26-16/h3-9,25H,22H2,1-2H3,(H2,21,24).
What are the key properties of 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide?
2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-4-pyridin-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 70869891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).