5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

C20H28FN7S — CID 90317093

IUPAC5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILES[H]/N=C/C(=C\N)c1cnc(-c2nnc(N(C)C3CC(C)(C)NC(C)(C)C3)s2)c(F)c1
InChIInChI=1S/C20H28FN7S/c1-19(2)7-14(8-20(3,4)27-19)28(5)18-26-25-17(29-18)16-15(21)6-12(11-24-16)13(9-22)10-23/h6,9-11,14,22,27H,7-8,23H2,1-5H3/b13-10+,22-9+
InChIKeyVJOWZTDXIJYZPZ-MJMOSIHLSA-N
MW417.56 g/mol
LogP3.43
Rot. Bonds5

About 5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 90317093) has the molecular formula C20H28FN7S and a molecular weight of 417.56 g/mol. Its IUPAC name is 5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID90317093
Molecular FormulaC20H28FN7S
Molecular Weight417.56 g/mol
Exact Mass417.21
IUPAC Name5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILES[H]/N=C/C(=C\N)c1cnc(-c2nnc(N(C)C3CC(C)(C)NC(C)(C)C3)s2)c(F)c1
InChIInChI=1S/C20H28FN7S/c1-19(2)7-14(8-20(3,4)27-19)28(5)18-26-25-17(29-18)16-15(21)6-12(11-24-16)13(9-22)10-23/h6,9-11,14,22,27H,7-8,23H2,1-5H3/b13-10+,22-9+
InChIKeyVJOWZTDXIJYZPZ-MJMOSIHLSA-N
XLogP3.43
TPSA103.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine 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 5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 90317093) is 5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is [H]/N=C/C(=C\N)c1cnc(-c2nnc(N(C)C3CC(C)(C)NC(C)(C)C3)s2)c(F)c1.
What is the InChIKey of 5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VJOWZTDXIJYZPZ-MJMOSIHLSA-N. The full InChI is InChI=1S/C20H28FN7S/c1-19(2)7-14(8-20(3,4)27-19)28(5)18-26-25-17(29-18)16-15(21)6-12(11-24-16)13(9-22)10-23/h6,9-11,14,22,27H,7-8,23H2,1-5H3/b13-10+,22-9+.
What are the key properties of 5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 417.56 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-fluoro-2-pyridinyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90317093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).