5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide

About 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide

5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 174666133) has the molecular formula C23H26FN7O2S and a molecular weight of 483.57 g/mol. Its IUPAC name is 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name	5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID	174666133
Molecular Formula	C23H26FN7O2S
Molecular Weight	483.57 g/mol
Exact Mass	483.19
IUPAC Name	5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide
SMILES	CN(CC=O)c1ccc(F)c(-c2nc(C(=O)Nc3cnccc3N3CCC[C@H](N)C3)c(N)s2)c1
InChI	InChI=1S/C23H26FN7O2S/c1-30(9-10-32)15-4-5-17(24)16(11-15)23-29-20(21(26)34-23)22(33)28-18-12-27-7-6-19(18)31-8-2-3-14(25)13-31/h4-7,10-12,14H,2-3,8-9,13,25-26H2,1H3,(H,28,33)/t14-/m0/s1
InChIKey	ANZGQPRTJDYAFR-AWEZNQCLSA-N
XLogP	2.74
TPSA	130.47 Å²
H-Bond Donors	3
H-Bond Acceptors	9
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide (CID 174666133) is 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide is CN(CC=O)c1ccc(F)c(-c2nc(C(=O)Nc3cnccc3N3CCC[C@H](N)C3)c(N)s2)c1.

What is the InChIKey of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide?

The InChIKey is ANZGQPRTJDYAFR-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H26FN7O2S/c1-30(9-10-32)15-4-5-17(24)16(11-15)23-29-20(21(26)34-23)22(33)28-18-12-27-7-6-19(18)31-8-2-3-14(25)13-31/h4-7,10-12,14H,2-3,8-9,13,25-26H2,1H3,(H,28,33)/t14-/m0/s1.

What are the key properties of 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide?

5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 2.74, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-[2-fluoro-5-[methyl(2-oxoethyl)amino]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 174666133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).