N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide

C21H19ClF2N4O3S — CID 73291738

IUPACN-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC(=O)c2c(F)ccc(OCc3nc4cc(Cl)cnc4s3)c2F)CC1
InChIInChI=1S/C21H19ClF2N4O3S/c1-28-6-4-11(5-7-28)19(29)27-20(30)17-13(23)2-3-15(18(17)24)31-10-16-26-14-8-12(22)9-25-21(14)32-16/h2-3,8-9,11H,4-7,10H2,1H3,(H,27,29,30)
InChIKeyWHLAOILNESDSJJ-UHFFFAOYSA-N
MW480.92 g/mol
LogP3.80
Rot. Bonds5

About N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide

N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide (PubChem CID 73291738) has the molecular formula C21H19ClF2N4O3S and a molecular weight of 480.92 g/mol. Its IUPAC name is N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide
PubChem CID73291738
Molecular FormulaC21H19ClF2N4O3S
Molecular Weight480.92 g/mol
Exact Mass480.08
IUPAC NameN-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)NC(=O)c2c(F)ccc(OCc3nc4cc(Cl)cnc4s3)c2F)CC1
InChIInChI=1S/C21H19ClF2N4O3S/c1-28-6-4-11(5-7-28)19(29)27-20(30)17-13(23)2-3-15(18(17)24)31-10-16-26-14-8-12(22)9-25-21(14)32-16/h2-3,8-9,11H,4-7,10H2,1H3,(H,27,29,30)
InChIKeyWHLAOILNESDSJJ-UHFFFAOYSA-N
XLogP3.80
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.92
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide (CID 73291738) is N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)NC(=O)c2c(F)ccc(OCc3nc4cc(Cl)cnc4s3)c2F)CC1.
What is the InChIKey of N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is WHLAOILNESDSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF2N4O3S/c1-28-6-4-11(5-7-28)19(29)27-20(30)17-13(23)2-3-15(18(17)24)31-10-16-26-14-8-12(22)9-25-21(14)32-16/h2-3,8-9,11H,4-7,10H2,1H3,(H,27,29,30).
What are the key properties of N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide?
N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 480.92 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-chloro-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzoyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 73291738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).