N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide

C18H23F2N5O4S — CID 142524367

IUPACN-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCC1(O)CCN(C(=O)Nc2nc3c(OC(F)F)ncc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C18H23F2N5O4S/c1-18(27)2-4-25(5-3-18)17(26)23-16-22-12-13(30-16)11(24-6-8-28-9-7-24)10-21-14(12)29-15(19)20/h10,15,27H,2-9H2,1H3,(H,22,23,26)
InChIKeyRGCSXBDADLWHIF-UHFFFAOYSA-N
MW443.48 g/mol
LogP2.51
Rot. Bonds4

About N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide

N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide (PubChem CID 142524367) has the molecular formula C18H23F2N5O4S and a molecular weight of 443.48 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide
PubChem CID142524367
Molecular FormulaC18H23F2N5O4S
Molecular Weight443.48 g/mol
Exact Mass443.14
IUPAC NameN-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide
SMILESCC1(O)CCN(C(=O)Nc2nc3c(OC(F)F)ncc(N4CCOCC4)c3s2)CC1
InChIInChI=1S/C18H23F2N5O4S/c1-18(27)2-4-25(5-3-18)17(26)23-16-22-12-13(30-16)11(24-6-8-28-9-7-24)10-21-14(12)29-15(19)20/h10,15,27H,2-9H2,1H3,(H,22,23,26)
InChIKeyRGCSXBDADLWHIF-UHFFFAOYSA-N
XLogP2.51
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 146652574
M1069 (free base)
CID 154659422
4'-Hydroxy-6-trifluoromethyl-3',4',5',6'-tetrahydro-2'h-[2,4']bipyridinyl-1'-carboxylic acid(7-methoxy-thiazolo[5,4-d]pyrimidin-2-yl)-amide
CID 24829958
4-(Fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 137462512
4-(Difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-amine
CID 137462578
(3S)-3-fluoro-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrrolidine-1-carboxamide
CID 142524407
4-(difluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
CID 142524459
4-(fluoromethyl)-4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)piperidine-1-carboxamide
CID 142524472
4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(oxan-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide
CID 142524479
N-[4-(fluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 142524484
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
4-(difluoromethyl)-4-hydroxy-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]piperidine-1-carboxamide
CID 146652473

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide (CID 142524367) is N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide is CC1(O)CCN(C(=O)Nc2nc3c(OC(F)F)ncc(N4CCOCC4)c3s2)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The InChIKey is RGCSXBDADLWHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O4S/c1-18(27)2-4-25(5-3-18)17(26)23-16-22-12-13(30-16)11(24-6-8-28-9-7-24)10-21-14(12)29-15(19)20/h10,15,27H,2-9H2,1H3,(H,22,23,26).
What are the key properties of N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide has a molecular weight of 443.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl]-4-hydroxy-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 142524367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).