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

C15H20FN5OS — CID 22090915

IUPACN-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCCC(CCc1sccc1F)Nc1nc(C)nc(NC(C)=O)n1
InChIInChI=1S/C15H20FN5OS/c1-4-11(5-6-13-12(16)7-8-23-13)20-15-18-9(2)17-14(21-15)19-10(3)22/h7-8,11H,4-6H2,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyWKGOQONIWPDYRV-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.16
Rot. Bonds7

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

N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (PubChem CID 22090915) has the molecular formula C15H20FN5OS and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
PubChem CID22090915
Molecular FormulaC15H20FN5OS
Molecular Weight337.42 g/mol
Exact Mass337.14
IUPAC NameN-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCCC(CCc1sccc1F)Nc1nc(C)nc(NC(C)=O)n1
InChIInChI=1S/C15H20FN5OS/c1-4-11(5-6-13-12(16)7-8-23-13)20-15-18-9(2)17-14(21-15)19-10(3)22/h7-8,11H,4-6H2,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyWKGOQONIWPDYRV-UHFFFAOYSA-N
XLogP3.16
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.16
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]acetamide?
The IUPAC name of N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (CID 22090915) is N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is CCC(CCc1sccc1F)Nc1nc(C)nc(NC(C)=O)n1.
What is the InChIKey of N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The InChIKey is WKGOQONIWPDYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5OS/c1-4-11(5-6-13-12(16)7-8-23-13)20-15-18-9(2)17-14(21-15)19-10(3)22/h7-8,11H,4-6H2,1-3H3,(H2,17,18,19,20,21,22).
What are the key properties of N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
N-[4-[1-(3-fluorothiophen-2-yl)pentan-3-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide has a molecular weight of 337.42 g/mol, XLogP of 3.16, 7 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]acetamide is sourced from PubChem (CID 22090915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).