4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide

C19H25FN4O4S — CID 142524486

IUPAC4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide
SMILESCOc1ncc(C2CCOCC2)c2sc(NC(=O)N3CCC(O)(CF)CC3)nc12
InChIInChI=1S/C19H25FN4O4S/c1-27-16-14-15(13(10-21-16)12-2-8-28-9-3-12)29-17(22-14)23-18(25)24-6-4-19(26,11-20)5-7-24/h10,12,26H,2-9,11H2,1H3,(H,22,23,25)
InChIKeyDYAVHVLQXQYVKE-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.92
Rot. Bonds4

About 4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide

4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide (PubChem CID 142524486) has the molecular formula C19H25FN4O4S and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide
PubChem CID142524486
Molecular FormulaC19H25FN4O4S
Molecular Weight424.50 g/mol
Exact Mass424.16
IUPAC Name4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide
SMILESCOc1ncc(C2CCOCC2)c2sc(NC(=O)N3CCC(O)(CF)CC3)nc12
InChIInChI=1S/C19H25FN4O4S/c1-27-16-14-15(13(10-21-16)12-2-8-28-9-3-12)29-17(22-14)23-18(25)24-6-4-19(26,11-20)5-7-24/h10,12,26H,2-9,11H2,1H3,(H,22,23,25)
InChIKeyDYAVHVLQXQYVKE-UHFFFAOYSA-N
XLogP2.92
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide 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 4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide?
The IUPAC name of 4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide (CID 142524486) is 4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide is COc1ncc(C2CCOCC2)c2sc(NC(=O)N3CCC(O)(CF)CC3)nc12.
What is the InChIKey of 4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide?
The InChIKey is DYAVHVLQXQYVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O4S/c1-27-16-14-15(13(10-21-16)12-2-8-28-9-3-12)29-17(22-14)23-18(25)24-6-4-19(26,11-20)5-7-24/h10,12,26H,2-9,11H2,1H3,(H,22,23,25).
What are the key properties of 4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide?
4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 142524486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).