N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide

C18H24FN5OS — CID 70181647

IUPACN-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(NC(CC)CSc2ccccc2)nc(C(C)F)n1
InChIInChI=1S/C18H24FN5OS/c1-4-13(11-26-14-9-7-6-8-10-14)20-17-22-16(12(3)19)23-18(24-17)21-15(25)5-2/h6-10,12-13H,4-5,11H2,1-3H3,(H2,20,21,22,23,24,25)
InChIKeyABHNQJPKDGTFRJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.23
Rot. Bonds9

About N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide

N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide (PubChem CID 70181647) has the molecular formula C18H24FN5OS and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide
PubChem CID70181647
Molecular FormulaC18H24FN5OS
Molecular Weight377.49 g/mol
Exact Mass377.17
IUPAC NameN-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(NC(CC)CSc2ccccc2)nc(C(C)F)n1
InChIInChI=1S/C18H24FN5OS/c1-4-13(11-26-14-9-7-6-8-10-14)20-17-22-16(12(3)19)23-18(24-17)21-15(25)5-2/h6-10,12-13H,4-5,11H2,1-3H3,(H2,20,21,22,23,24,25)
InChIKeyABHNQJPKDGTFRJ-UHFFFAOYSA-N
XLogP4.23
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide 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-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 22090915
N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090917
N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
CID 22090971
N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 22090973
6-(1-fluoroethyl)-2-N-(1-phenylsulfanylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 53691867
N-[4-(1-fluoroethyl)-6-(1-thiophen-2-ylpropylamino)-1,3,5-triazin-2-yl]acetamide
CID 59874319
N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide
CID 70246608
N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]propanamide
CID 70246875
N-[4-[1-(2-chlorophenyl)sulfanylbutan-2-ylamino]-6-(2-fluoropropan-2-yl)-1,3,5-triazin-2-yl]formamide
CID 88195471
6-(2-fluoropropan-2-yl)-2-N-(1-phenylsulfanylpropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 141965187
N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylpropan-2-ylamino)-1,3,5-triazin-2-yl]acetamide
CID 141965207
N-[4-(2-fluoropropan-2-yl)-6-(4-thiophen-2-ylbutan-2-ylamino)-1,3,5-triazin-2-yl]acetamide
CID 9819849

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide (CID 70181647) is N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(NC(CC)CSc2ccccc2)nc(C(C)F)n1.
What is the InChIKey of N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide?
The InChIKey is ABHNQJPKDGTFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5OS/c1-4-13(11-26-14-9-7-6-8-10-14)20-17-22-16(12(3)19)23-18(24-17)21-15(25)5-2/h6-10,12-13H,4-5,11H2,1-3H3,(H2,20,21,22,23,24,25).
What are the key properties of N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide?
N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-fluoroethyl)-6-(1-phenylsulfanylbutan-2-ylamino)-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 70181647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).