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

C17H19Cl2FN4OS — CID 158598070

IUPACN-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCC1(c2ccc(F)c(NC(=O)c3ccncc3)c2)CCSC(N)=N1.Cl.Cl
InChIInChI=1S/C17H17FN4OS.2ClH/c1-17(6-9-24-16(19)22-17)12-2-3-13(18)14(10-12)21-15(23)11-4-7-20-8-5-11;;/h2-5,7-8,10H,6,9H2,1H3,(H2,19,22)(H,21,23);2*1H
InChIKeyVEFUPPDKXOJJOH-UHFFFAOYSA-N
MW417.34 g/mol
LogP3.98
Rot. Bonds3

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

N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 158598070) has the molecular formula C17H19Cl2FN4OS and a molecular weight of 417.34 g/mol. Its IUPAC name is N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride
PubChem CID158598070
Molecular FormulaC17H19Cl2FN4OS
Molecular Weight417.34 g/mol
Exact Mass416.06
IUPAC NameN-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCC1(c2ccc(F)c(NC(=O)c3ccncc3)c2)CCSC(N)=N1.Cl.Cl
InChIInChI=1S/C17H17FN4OS.2ClH/c1-17(6-9-24-16(19)22-17)12-2-3-13(18)14(10-12)21-15(23)11-4-7-20-8-5-11;;/h2-5,7-8,10H,6,9H2,1H3,(H2,19,22)(H,21,23);2*1H
InChIKeyVEFUPPDKXOJJOH-UHFFFAOYSA-N
XLogP3.98
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide
CID 59374724
N-[5-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-fluorophenyl]-4-methylbenzenesulfonamide
CID 163622788
N-[4-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-2-pyridinyl]-5-chloropyridine-2-carboxamide
CID 59250351
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 59250391
(4S)-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;dihydrochloride
CID 118305820
N-(5-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 110779492
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]-4-methoxythiophene-3-carboxamide
CID 59250337
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methylindole-5-carboxamide
CID 59250901
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-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]methyl]-4-methylbenzamide;hydrochloride
CID 162310803

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride (CID 158598070) is N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride is CC1(c2ccc(F)c(NC(=O)c3ccncc3)c2)CCSC(N)=N1.Cl.Cl.
What is the InChIKey of N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is VEFUPPDKXOJJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4OS.2ClH/c1-17(6-9-24-16(19)22-17)12-2-3-13(18)14(10-12)21-15(23)11-4-7-20-8-5-11;;/h2-5,7-8,10H,6,9H2,1H3,(H2,19,22)(H,21,23);2*1H.
What are the key properties of N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride?
N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 417.34 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 158598070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).