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

C17H16ClFN4OS — CID 59374724

IUPACN-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide
SMILESCC1(c2ccc(F)c(NC(=O)c3cccc(Cl)n3)c2)CCSC(N)=N1
InChIInChI=1S/C17H16ClFN4OS/c1-17(7-8-25-16(20)23-17)10-5-6-11(19)13(9-10)22-15(24)12-3-2-4-14(18)21-12/h2-6,9H,7-8H2,1H3,(H2,20,23)(H,22,24)
InChIKeySCODAEKVPYUBMC-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.79
Rot. Bonds3

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

N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide (PubChem CID 59374724) has the molecular formula C17H16ClFN4OS and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide
PubChem CID59374724
Molecular FormulaC17H16ClFN4OS
Molecular Weight378.86 g/mol
Exact Mass378.07
IUPAC NameN-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide
SMILESCC1(c2ccc(F)c(NC(=O)c3cccc(Cl)n3)c2)CCSC(N)=N1
InChIInChI=1S/C17H16ClFN4OS/c1-17(7-8-25-16(20)23-17)10-5-6-11(19)13(9-10)22-15(24)12-3-2-4-14(18)21-12/h2-6,9H,7-8H2,1H3,(H2,20,23)(H,22,24)
InChIKeySCODAEKVPYUBMC-UHFFFAOYSA-N
XLogP3.79
TPSA80.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]pyridine-4-carboxamide;dihydrochloride
CID 158598070
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
6-chloro-N-(2-fluoro-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 62234738
6-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 63035993
6-amino-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 62239804
N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]phenyl]-5-ethylpyrazine-2-carboxamide
CID 59250509
N-[3-(2-amino-4a,5,6,7,8,9-hexahydro-4H-cyclohepta[d][1,3]thiazin-9a-yl)-4-fluorophenyl]-6-chloropyridine-2-carboxamide
CID 87577526
(4S)-4-(5-amino-2-fluorophenyl)-4-methyl-5,6-dihydro-1,3-thiazin-2-amine;N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3-chloro-1-methylpyrazole-5-carboxamide
CID 161354874
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)phenyl]-1-chloropyrrole-2-carboxamide
CID 71083457
5-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-N-methylpyridine-2-carboxamide
CID 58377049
N-[5-[(8aS)-2-amino-4a,5,7,8-tetrahydro-4H-pyrano[4,3-d][1,3]thiazin-8a-yl]-2-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 66861955

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]-6-chloropyridine-2-carboxamide?
The IUPAC name of N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide (CID 59374724) is N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide?
The canonical SMILES for N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide is CC1(c2ccc(F)c(NC(=O)c3cccc(Cl)n3)c2)CCSC(N)=N1.
What is the InChIKey of N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide?
The InChIKey is SCODAEKVPYUBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN4OS/c1-17(7-8-25-16(20)23-17)10-5-6-11(19)13(9-10)22-15(24)12-3-2-4-14(18)21-12/h2-6,9H,7-8H2,1H3,(H2,20,23)(H,22,24).
What are the key properties of N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide?
N-[5-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-2-fluorophenyl]-6-chloropyridine-2-carboxamide has a molecular weight of 378.86 g/mol, XLogP of 3.79, 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]-6-chloropyridine-2-carboxamide is sourced from PubChem (CID 59374724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).