N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide

C16H22FN5OS — CID 22090917

IUPACN-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(CC)CCc2sccc2F)n1
InChIInChI=1S/C16H22FN5OS/c1-4-11(6-7-13-12(17)8-9-24-13)20-15-18-10(3)19-16(22-15)21-14(23)5-2/h8-9,11H,4-7H2,1-3H3,(H2,18,19,20,21,22,23)
InChIKeyKQDJTFSNVWCEKI-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.55
Rot. Bonds8

About N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide

N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide (PubChem CID 22090917) has the molecular formula C16H22FN5OS and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
PubChem CID22090917
Molecular FormulaC16H22FN5OS
Molecular Weight351.45 g/mol
Exact Mass351.15
IUPAC NameN-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(C)nc(NC(CC)CCc2sccc2F)n1
InChIInChI=1S/C16H22FN5OS/c1-4-11(6-7-13-12(17)8-9-24-13)20-15-18-10(3)19-16(22-15)21-14(23)5-2/h8-9,11H,4-7H2,1-3H3,(H2,18,19,20,21,22,23)
InChIKeyKQDJTFSNVWCEKI-UHFFFAOYSA-N
XLogP3.55
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The IUPAC name of N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide (CID 22090917) is N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide.
What is the SMILES notation for N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The canonical SMILES for N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide is CCC(=O)Nc1nc(C)nc(NC(CC)CCc2sccc2F)n1.
What is the InChIKey of N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
The InChIKey is KQDJTFSNVWCEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5OS/c1-4-11(6-7-13-12(17)8-9-24-13)20-15-18-10(3)19-16(22-15)21-14(23)5-2/h8-9,11H,4-7H2,1-3H3,(H2,18,19,20,21,22,23).
What are the key properties of N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide?
N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide is sourced from PubChem (CID 22090917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).