N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide

C19H17FN4O2S — CID 53241346

IUPACN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3nccc4ccsc34)ccc2F)CCOC(N)=N1
InChIInChI=1S/C19H17FN4O2S/c1-19(6-8-26-18(21)24-19)13-10-12(2-3-14(13)20)23-17(25)15-16-11(4-7-22-15)5-9-27-16/h2-5,7,9-10H,6,8H2,1H3,(H2,21,24)(H,23,25)/t19-/m0/s1
InChIKeyKMWVJOCHQQZFKJ-IBGZPJMESA-N
MW384.44 g/mol
LogP3.64
Rot. Bonds3

About N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide (PubChem CID 53241346) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide
PubChem CID53241346
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC NameN-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide
SMILESC[C@@]1(c2cc(NC(=O)c3nccc4ccsc34)ccc2F)CCOC(N)=N1
InChIInChI=1S/C19H17FN4O2S/c1-19(6-8-26-18(21)24-19)13-10-12(2-3-14(13)20)23-17(25)15-16-11(4-7-22-15)5-9-27-16/h2-5,7,9-10H,6,8H2,1H3,(H2,21,24)(H,23,25)/t19-/m0/s1
InChIKeyKMWVJOCHQQZFKJ-IBGZPJMESA-N
XLogP3.64
TPSA89.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide with MolForge

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Related Compounds

N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-chloropyrazole-3-carboxamide
CID 123843561
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-methylpyrazole-3-carboxamide
CID 53241553
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 67236293
N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 54579581
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-3-chloropyridine-2-carboxamide
CID 53241711
N-[3-[(5S)-3-amino-5-methyl-6,7-dihydro-2H-1,4-oxazepin-5-yl]-4-fluorophenyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 54576280
N-[3-(2-amino-1-iodo-4-methyl-6-oxo-5H-pyrimidin-4-yl)-4-fluorophenyl]-3-fluoropyridine-2-carboxamide
CID 163943894
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 59250450
N-[3-[(4S)-2-amino-4-(difluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-fluoropyrazine-2-carboxamide
CID 74222189
N-[3-[(4S)-2-amino-4-ethyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 53230335
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 59250592
N-[3-(2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl)-4-fluorophenyl]-3,5-dichloropyrazine-2-carboxamide
CID 57480381

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide (CID 53241346) is N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide is C[C@@]1(c2cc(NC(=O)c3nccc4ccsc34)ccc2F)CCOC(N)=N1.
What is the InChIKey of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide?
The InChIKey is KMWVJOCHQQZFKJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-19(6-8-26-18(21)24-19)13-10-12(2-3-14(13)20)23-17(25)15-16-11(4-7-22-15)5-9-27-16/h2-5,7,9-10H,6,8H2,1H3,(H2,21,24)(H,23,25)/t19-/m0/s1.
What are the key properties of N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide?
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]thieno[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 53241346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).