N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide

C19H17FN4O2S — CID 59250929

IUPACN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide
SMILESCC1(c2cc(NC(=O)c3onc4ccccc34)ccc2F)CCSC(N)=N1
InChIInChI=1S/C19H17FN4O2S/c1-19(8-9-27-18(21)23-19)13-10-11(6-7-14(13)20)22-17(25)16-12-4-2-3-5-15(12)24-26-16/h2-7,10H,8-9H2,1H3,(H2,21,23)(H,22,25)
InChIKeyXHQQNSNSVDKXSL-UHFFFAOYSA-N
MW384.44 g/mol
LogP3.89
Rot. Bonds3

About N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide

N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide (PubChem CID 59250929) has the molecular formula C19H17FN4O2S and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide
PubChem CID59250929
Molecular FormulaC19H17FN4O2S
Molecular Weight384.44 g/mol
Exact Mass384.11
IUPAC NameN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide
SMILESCC1(c2cc(NC(=O)c3onc4ccccc34)ccc2F)CCSC(N)=N1
InChIInChI=1S/C19H17FN4O2S/c1-19(8-9-27-18(21)23-19)13-10-11(6-7-14(13)20)22-17(25)16-12-4-2-3-5-15(12)24-26-16/h2-7,10H,8-9H2,1H3,(H2,21,23)(H,22,25)
InChIKeyXHQQNSNSVDKXSL-UHFFFAOYSA-N
XLogP3.89
TPSA93.51 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 ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-[(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-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
CID 59250818
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-4-methoxythiophene-3-carboxamide
CID 59250337
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide
CID 59250514
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-2-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 160537999
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59374722
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 59250302
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 59250335
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(oxetan-2-ylmethoxy)pyrazine-2-carboxamide
CID 59250583
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-3-pyrazol-1-ylbenzamide
CID 59250382
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methylindole-5-carboxamide
CID 59250901

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide (CID 59250929) is N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide is CC1(c2cc(NC(=O)c3onc4ccccc34)ccc2F)CCSC(N)=N1.
What is the InChIKey of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide?
The InChIKey is XHQQNSNSVDKXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2S/c1-19(8-9-27-18(21)23-19)13-10-11(6-7-14(13)20)22-17(25)16-12-4-2-3-5-15(12)24-26-16/h2-7,10H,8-9H2,1H3,(H2,21,23)(H,22,25).
What are the key properties of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide?
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 59250929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).