N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide

C16H17F3N6OS — CID 162562700

IUPACN-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide
SMILESC[C@@]1(CF)N=C(N)SCC1c1cc(NC(=O)c2cnn(C(F)F)c2)ccn1
InChIInChI=1S/C16H17F3N6OS/c1-16(8-17)11(7-27-15(20)24-16)12-4-10(2-3-21-12)23-13(26)9-5-22-25(6-9)14(18)19/h2-6,11,14H,7-8H2,1H3,(H2,20,24)(H,21,23,26)/t11?,16-/m0/s1
InChIKeyIZLGMLJEFRLZCX-NBFOKTCDSA-N
MW398.41 g/mol
LogP2.80
Rot. Bonds5

About N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide

N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide (PubChem CID 162562700) has the molecular formula C16H17F3N6OS and a molecular weight of 398.41 g/mol. Its IUPAC name is N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide
PubChem CID162562700
Molecular FormulaC16H17F3N6OS
Molecular Weight398.41 g/mol
Exact Mass398.11
IUPAC NameN-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide
SMILESC[C@@]1(CF)N=C(N)SCC1c1cc(NC(=O)c2cnn(C(F)F)c2)ccn1
InChIInChI=1S/C16H17F3N6OS/c1-16(8-17)11(7-27-15(20)24-16)12-4-10(2-3-21-12)23-13(26)9-5-22-25(6-9)14(18)19/h2-6,11,14H,7-8H2,1H3,(H2,20,24)(H,21,23,26)/t11?,16-/m0/s1
InChIKeyIZLGMLJEFRLZCX-NBFOKTCDSA-N
XLogP2.80
TPSA98.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylpropyl)-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255887
[[2-amino-5-[(3-cyano-2,6-dimethylbenzoyl)amino]phenyl]-[1-(difluoromethyl)pyrazol-4-yl]methylidene]azanium
CID 155575003
1-(difluoromethyl)-N-[3-[(1S)-1-[(1-methylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]phenyl]pyrazole-4-carboxamide
CID 175850106
N-[3-[(4aS,7aR)-2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 123924677
5-amino-N-[3-[(1S,7S)-3-amino-4-thia-2-azabicyclo[5.1.0]oct-2-en-1-yl]-4-fluorophenyl]pyridine-2-carboxamide
CID 71202373
2-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502903
N-[2-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-pyridinyl]-2,5-dimethylpyrazole-3-carboxamide
CID 90347039
1-methyl-N-(1-oxospiro[2,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)pyrazole-4-carboxamide
CID 155454559
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-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 57475760
2,4-diamino-N-(1-propan-2-ylpyrazol-4-yl)benzamide
CID 62902803
1-(2-aminopropyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carboxamide
CID 167825875

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide (CID 162562700) is N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide is C[C@@]1(CF)N=C(N)SCC1c1cc(NC(=O)c2cnn(C(F)F)c2)ccn1.
What is the InChIKey of N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide?
The InChIKey is IZLGMLJEFRLZCX-NBFOKTCDSA-N. The full InChI is InChI=1S/C16H17F3N6OS/c1-16(8-17)11(7-27-15(20)24-16)12-4-10(2-3-21-12)23-13(26)9-5-22-25(6-9)14(18)19/h2-6,11,14H,7-8H2,1H3,(H2,20,24)(H,21,23,26)/t11?,16-/m0/s1.
What are the key properties of N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide?
N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide has a molecular weight of 398.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-2-amino-4-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-thiazin-5-yl]-4-pyridinyl]-1-(difluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 162562700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).