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

C22H22FN5OS — CID 59250818

IUPACN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(F)c(C3(C)CCSC(N)=N3)c2)c1-c1ccccc1
InChIInChI=1S/C22H22FN5OS/c1-22(10-11-30-21(24)27-22)17-12-15(8-9-18(17)23)26-20(29)16-13-25-28(2)19(16)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H2,24,27)(H,26,29)
InChIKeyAKADQPFGZZYLDH-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.15
Rot. Bonds4

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

N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide (PubChem CID 59250818) has the molecular formula C22H22FN5OS and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
PubChem CID59250818
Molecular FormulaC22H22FN5OS
Molecular Weight423.52 g/mol
Exact Mass423.15
IUPAC NameN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(F)c(C3(C)CCSC(N)=N3)c2)c1-c1ccccc1
InChIInChI=1S/C22H22FN5OS/c1-22(10-11-30-21(24)27-22)17-12-15(8-9-18(17)23)26-20(29)16-13-25-28(2)19(16)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H2,24,27)(H,26,29)
InChIKeyAKADQPFGZZYLDH-UHFFFAOYSA-N
XLogP4.15
TPSA85.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 59250335
(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)-4-fluorophenyl]-1-methylindole-5-carboxamide
CID 59250901
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-2,1-benzoxazole-3-carboxamide
CID 59250929
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-4-methoxythiophene-3-carboxamide
CID 59250337
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)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide
CID 59250514
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
CID 59250319
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 59250391
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]-3-pyrazol-1-ylbenzamide
CID 59250382

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]-1-methyl-5-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide (CID 59250818) is N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2ccc(F)c(C3(C)CCSC(N)=N3)c2)c1-c1ccccc1.
What is the InChIKey of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide?
The InChIKey is AKADQPFGZZYLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5OS/c1-22(10-11-30-21(24)27-22)17-12-15(8-9-18(17)23)26-20(29)16-13-25-28(2)19(16)14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H2,24,27)(H,26,29).
What are the key properties of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide?
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-methyl-5-phenylpyrazole-4-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 4.15, 4 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]-1-methyl-5-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 59250818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).