2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide

C19H19FN6OS — CID 55506651

IUPAC2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide
SMILESCC(SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19FN6OS/c1-12(17(27)22-14-5-3-2-4-6-14)28-11-16-24-18(21)26-19(25-16)23-15-9-7-13(20)8-10-15/h2-10,12H,11H2,1H3,(H,22,27)(H3,21,23,24,25,26)
InChIKeyWBLDCTPWRPCVFK-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.60
Rot. Bonds7

About 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide

2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide (PubChem CID 55506651) has the molecular formula C19H19FN6OS and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide
PubChem CID55506651
Molecular FormulaC19H19FN6OS
Molecular Weight398.47 g/mol
Exact Mass398.13
IUPAC Name2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide
SMILESCC(SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19FN6OS/c1-12(17(27)22-14-5-3-2-4-6-14)28-11-16-24-18(21)26-19(25-16)23-15-9-7-13(20)8-10-15/h2-10,12H,11H2,1H3,(H,22,27)(H3,21,23,24,25,26)
InChIKeyWBLDCTPWRPCVFK-UHFFFAOYSA-N
XLogP3.60
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide 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

(2S)-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(3-bromophenyl)propanamide
CID 26634453
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2-chlorophenyl)propanamide
CID 55436713
(2S)-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 32515326
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methylsulfanyl]propanamide
CID 41022283
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-(4-bromophenyl)acetamide
CID 51586421
6-ethyl-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 142393995
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 60594077
2-N-(4-fluorophenyl)-6-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 35502155
6-[(2-ethoxyphenyl)methylsulfanylmethyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 26635001
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-N-[(2S)-butan-2-yl]acetamide
CID 8970304
2-N-(4-fluorophenyl)-6-(3-phenoxypropylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 17391813
2-[1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethylsulfanyl]-N-(2,6-difluorophenyl)propanamide
CID 55466217

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide?
The IUPAC name of 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide (CID 55506651) is 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide.
What is the SMILES notation for 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide?
The canonical SMILES for 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide is CC(SCc1nc(N)nc(Nc2ccc(F)cc2)n1)C(=O)Nc1ccccc1.
What is the InChIKey of 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide?
The InChIKey is WBLDCTPWRPCVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6OS/c1-12(17(27)22-14-5-3-2-4-6-14)28-11-16-24-18(21)26-19(25-16)23-15-9-7-13(20)8-10-15/h2-10,12H,11H2,1H3,(H,22,27)(H3,21,23,24,25,26).
What are the key properties of 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide?
2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide has a molecular weight of 398.47 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-phenylpropanamide is sourced from PubChem (CID 55506651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).