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

C26H23FN4O3S2 — CID 59250514

IUPACN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide
SMILESCC1(c2cc(NC(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)ccc2F)CCSC(N)=N1
InChIInChI=1S/C26H23FN4O3S2/c1-26(13-14-35-25(28)30-26)21-15-17(11-12-22(21)27)29-24(32)20-16-31(23-10-6-5-9-19(20)23)36(33,34)18-7-3-2-4-8-18/h2-12,15-16H,13-14H2,1H3,(H2,28,30)(H,29,32)
InChIKeyUCVNGFQMJBNYFT-UHFFFAOYSA-N
MW522.63 g/mol
LogP4.94
Rot. Bonds5

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

N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide (PubChem CID 59250514) has the molecular formula C26H23FN4O3S2 and a molecular weight of 522.63 g/mol. Its IUPAC name is N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide
PubChem CID59250514
Molecular FormulaC26H23FN4O3S2
Molecular Weight522.63 g/mol
Exact Mass522.12
IUPAC NameN-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide
SMILESCC1(c2cc(NC(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)ccc2F)CCSC(N)=N1
InChIInChI=1S/C26H23FN4O3S2/c1-26(13-14-35-25(28)30-26)21-15-17(11-12-22(21)27)29-24(32)20-16-31(23-10-6-5-9-19(20)23)36(33,34)18-7-3-2-4-8-18/h2-12,15-16H,13-14H2,1H3,(H2,28,30)(H,29,32)
InChIKeyUCVNGFQMJBNYFT-UHFFFAOYSA-N
XLogP4.94
TPSA106.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.63
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-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

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]-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-methyl-2-phenylpyrimidine-5-carboxamide
CID 59250335
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]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 59374722
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]-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]-3-pyrazol-1-ylbenzamide
CID 59250382
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]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 59250592
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-(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

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-(benzenesulfonyl)indole-3-carboxamide?
The IUPAC name of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide (CID 59250514) is N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide is CC1(c2cc(NC(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)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]-1-(benzenesulfonyl)indole-3-carboxamide?
The InChIKey is UCVNGFQMJBNYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O3S2/c1-26(13-14-35-25(28)30-26)21-15-17(11-12-22(21)27)29-24(32)20-16-31(23-10-6-5-9-19(20)23)36(33,34)18-7-3-2-4-8-18/h2-12,15-16H,13-14H2,1H3,(H2,28,30)(H,29,32).
What are the key properties of N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide?
N-[3-(2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(benzenesulfonyl)indole-3-carboxamide has a molecular weight of 522.63 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-(benzenesulfonyl)indole-3-carboxamide is sourced from PubChem (CID 59250514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).