2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide

C19H18FN5O3S — CID 166792762

IUPAC2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
SMILESCOc1ccc(C(=O)c2sc(N(c3ccc(F)cc3)C(C)C(N)=O)nc2N)cn1
InChIInChI=1S/C19H18FN5O3S/c1-10(18(22)27)25(13-6-4-12(20)5-7-13)19-24-17(21)16(29-19)15(26)11-3-8-14(28-2)23-9-11/h3-10H,21H2,1-2H3,(H2,22,27)
InChIKeyANOQCMYOPATPOV-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.51
Rot. Bonds7

About 2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide

2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide (PubChem CID 166792762) has the molecular formula C19H18FN5O3S and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide.

Molecular Properties

Compound Name2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
PubChem CID166792762
Molecular FormulaC19H18FN5O3S
Molecular Weight415.45 g/mol
Exact Mass415.11
IUPAC Name2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide
SMILESCOc1ccc(C(=O)c2sc(N(c3ccc(F)cc3)C(C)C(N)=O)nc2N)cn1
InChIInChI=1S/C19H18FN5O3S/c1-10(18(22)27)25(13-6-4-12(20)5-7-13)19-24-17(21)16(29-19)15(26)11-3-8-14(28-2)23-9-11/h3-10H,21H2,1-2H3,(H2,22,27)
InChIKeyANOQCMYOPATPOV-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

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Frequently Asked Questions

What is the IUPAC name of 2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide?
The IUPAC name of 2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide (CID 166792762) is 2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide.
What is the SMILES notation for 2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide?
The canonical SMILES for 2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide is COc1ccc(C(=O)c2sc(N(c3ccc(F)cc3)C(C)C(N)=O)nc2N)cn1.
What is the InChIKey of 2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide?
The InChIKey is ANOQCMYOPATPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O3S/c1-10(18(22)27)25(13-6-4-12(20)5-7-13)19-24-17(21)16(29-19)15(26)11-3-8-14(28-2)23-9-11/h3-10H,21H2,1-2H3,(H2,22,27).
What are the key properties of 2-(N-[4-amino-5-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide?
2-(N-[4-amino-5-(6-methoxypyridine-3-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-(6-methoxypyridine-3-carbonyl)-1,3-thiazol-2-yl]-4-fluoroanilino)propanamide is sourced from PubChem (CID 166792762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).