2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide

C19H18FN5O3S — CID 166792814

IUPAC2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
SMILESCOc1cc(C(=O)c2sc(N(c3ccc(F)cc3)C(C)C(N)=O)nc2N)ccn1
InChIInChI=1S/C19H18FN5O3S/c1-10(18(22)27)25(13-5-3-12(20)4-6-13)19-24-17(21)16(29-19)15(26)11-7-8-23-14(9-11)28-2/h3-10H,21H2,1-2H3,(H2,22,27)
InChIKeyUIPQNDNKPARBFM-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.51
Rot. Bonds7

About 2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide

2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide (PubChem CID 166792814) has the molecular formula C19H18FN5O3S and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
PubChem CID166792814
Molecular FormulaC19H18FN5O3S
Molecular Weight415.45 g/mol
Exact Mass415.11
IUPAC Name2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
SMILESCOc1cc(C(=O)c2sc(N(c3ccc(F)cc3)C(C)C(N)=O)nc2N)ccn1
InChIInChI=1S/C19H18FN5O3S/c1-10(18(22)27)25(13-5-3-12(20)4-6-13)19-24-17(21)16(29-19)15(26)11-7-8-23-14(9-11)28-2/h3-10H,21H2,1-2H3,(H2,22,27)
InChIKeyUIPQNDNKPARBFM-UHFFFAOYSA-N
XLogP2.51
TPSA124.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide?
The IUPAC name of 2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide (CID 166792814) is 2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide.
What is the SMILES notation for 2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide?
The canonical SMILES for 2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide is COc1cc(C(=O)c2sc(N(c3ccc(F)cc3)C(C)C(N)=O)nc2N)ccn1.
What is the InChIKey of 2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide?
The InChIKey is UIPQNDNKPARBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3S/c1-10(18(22)27)25(13-5-3-12(20)4-6-13)19-24-17(21)16(29-19)15(26)11-7-8-23-14(9-11)28-2/h3-10H,21H2,1-2H3,(H2,22,27).
What are the key properties of 2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide?
2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide has a molecular weight of 415.45 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[4-amino-5-(2-methoxypyridine-4-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide is sourced from PubChem (CID 166792814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).