(E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial

C19H21F2N5OS2 — CID 171489048

IUPAC(E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial
SMILESN/C=C(\C=S)N1CCC2=C(SC(c3ccc(N4CCC[C@H](F)C4)nc3F)N2)C1=O
InChIInChI=1S/C19H21F2N5OS2/c20-11-2-1-6-25(9-11)15-4-3-13(17(21)24-15)18-23-14-5-7-26(12(8-22)10-28)19(27)16(14)29-18/h3-4,8,10-11,18,23H,1-2,5-7,9,22H2/b12-8+/t11-,18?/m0/s1
InChIKeyCYGJGHKCAVDZPB-FYPXIVHGSA-N
MW437.54 g/mol
LogP2.74
Rot. Bonds4

About (E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial

(E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial (PubChem CID 171489048) has the molecular formula C19H21F2N5OS2 and a molecular weight of 437.54 g/mol. Its IUPAC name is (E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial.

Molecular Properties

Compound Name(E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial
PubChem CID171489048
Molecular FormulaC19H21F2N5OS2
Molecular Weight437.54 g/mol
Exact Mass437.12
IUPAC Name(E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial
SMILESN/C=C(\C=S)N1CCC2=C(SC(c3ccc(N4CCC[C@H](F)C4)nc3F)N2)C1=O
InChIInChI=1S/C19H21F2N5OS2/c20-11-2-1-6-25(9-11)15-4-3-13(17(21)24-15)18-23-14-5-7-26(12(8-22)10-28)19(27)16(14)29-18/h3-4,8,10-11,18,23H,1-2,5-7,9,22H2/b12-8+/t11-,18?/m0/s1
InChIKeyCYGJGHKCAVDZPB-FYPXIVHGSA-N
XLogP2.74
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial with MolForge

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

Launch Full Analysis

Related Compounds

5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydro-1H-pyridin-6-one
CID 166475100
5-(3-amino-2-fluorophenyl)-1-methyl-2-(6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475103
5-(3-Amino-4-fluorophenyl)-2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475193
1-(3-Amino-2-fluorophenyl)-5-[[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]methylsulfanyl]-4-(methylamino)-2,3-dihydropyridin-6-one
CID 166475226
5-(3-Amino-4-fluorophenyl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475236
5-[(1E,4Z,7Z)-4-amino-5-fluorocycloocta-1,4,7-trien-1-yl]-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475243
(2E,4E)-2-(aminomethyl)-5-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-1-methyl-4-oxo-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-5-yl]hepta-2,4,6-trienenitrile
CID 166475255
5-(3-Amino-4-fluorophenyl)-2-[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 166475276
2-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 169040474
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-4,9-dimethylidene-6,7-dihydro-5H-1,3,7-thiadiazonin-8-one
CID 169560432
5-[(E)-3-amino-1-sulfanylprop-1-en-2-yl]-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-1-methyl-6,7-dihydro-2H-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171488975
(E)-3-amino-2-[2-(2-fluoro-6-piperidin-1-yl-3-pyridinyl)-8-oxo-3,4,5,7-tetrahydro-2H-[1,3]thiazolo[4,5-d]azepin-6-yl]prop-2-enethial
CID 171488976

Frequently Asked Questions

What is the IUPAC name of (E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial?
The IUPAC name of (E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial (CID 171489048) is (E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial.
What is the SMILES notation for (E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial?
The canonical SMILES for (E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial is N/C=C(\C=S)N1CCC2=C(SC(c3ccc(N4CCC[C@H](F)C4)nc3F)N2)C1=O.
What is the InChIKey of (E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial?
The InChIKey is CYGJGHKCAVDZPB-FYPXIVHGSA-N. The full InChI is InChI=1S/C19H21F2N5OS2/c20-11-2-1-6-25(9-11)15-4-3-13(17(21)24-15)18-23-14-5-7-26(12(8-22)10-28)19(27)16(14)29-18/h3-4,8,10-11,18,23H,1-2,5-7,9,22H2/b12-8+/t11-,18?/m0/s1.
What are the key properties of (E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial?
(E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial has a molecular weight of 437.54 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-amino-2-[2-[2-fluoro-6-[(3S)-3-fluoropiperidin-1-yl]-3-pyridinyl]-4-oxo-1,2,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]prop-2-enethial is sourced from PubChem (CID 171489048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).