N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

C15H11F2N3O3S — CID 70650678

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)n1sc2ncccc2c1=O
InChIInChI=1S/C15H11F2N3O3S/c16-14(17)23-11-6-2-1-4-9(11)8-19-15(22)20-13(21)10-5-3-7-18-12(10)24-20/h1-7,14H,8H2,(H,19,22)
InChIKeyLSWNWGZXZYOEMO-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.82
Rot. Bonds4

About N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide

N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (PubChem CID 70650678) has the molecular formula C15H11F2N3O3S and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
PubChem CID70650678
Molecular FormulaC15H11F2N3O3S
Molecular Weight351.33 g/mol
Exact Mass351.05
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)F)n1sc2ncccc2c1=O
InChIInChI=1S/C15H11F2N3O3S/c16-14(17)23-11-6-2-1-4-9(11)8-19-15(22)20-13(21)10-5-3-7-18-12(10)24-20/h1-7,14H,8H2,(H,19,22)
InChIKeyLSWNWGZXZYOEMO-UHFFFAOYSA-N
XLogP2.82
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 70651205
N-[[2-(difluoromethoxy)phenyl]methyl]imidazole-1-carboxamide
CID 81257132
2-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 103754084
N-[(3-methylimidazol-4-yl)methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 54771315
3-oxo-N-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide
CID 54770856
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 30311436
N-[[2-(difluoromethoxy)phenyl]methyl]-2-fluoropyridine-3-carboxamide
CID 107358541
N-[[2-(difluoromethoxy)phenyl]methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 86998055
1-[[2-(difluoromethoxy)phenyl]methyl]-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 86927668
2-[2-[[2-(difluoromethoxy)phenyl]methylamino]-2-oxoethoxy]acetic acid
CID 60711310
N-[[2-(difluoromethoxy)phenyl]methyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 17479938
N-[[2-(difluoromethoxy)phenyl]methyl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87008423

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide (CID 70650678) is N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is O=C(NCc1ccccc1OC(F)F)n1sc2ncccc2c1=O.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
The InChIKey is LSWNWGZXZYOEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S/c16-14(17)23-11-6-2-1-4-9(11)8-19-15(22)20-13(21)10-5-3-7-18-12(10)24-20/h1-7,14H,8H2,(H,19,22).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-3-oxo-[1,2]thiazolo[5,4-b]pyridine-2-carboxamide is sourced from PubChem (CID 70650678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).