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

C14H18FN5OS — CID 22090971

IUPACN-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC(C)CCc2sccc2F)n1
InChIInChI=1S/C14H18FN5OS/c1-8(4-5-12-11(15)6-7-22-12)16-13-17-9(2)18-14(20-13)19-10(3)21/h6-8H,4-5H2,1-3H3,(H2,16,17,18,19,20,21)
InChIKeyHESYFSRSSGRSIU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.77
Rot. Bonds6

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

N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (PubChem CID 22090971) has the molecular formula C14H18FN5OS and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
PubChem CID22090971
Molecular FormulaC14H18FN5OS
Molecular Weight323.40 g/mol
Exact Mass323.12
IUPAC NameN-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC(C)CCc2sccc2F)n1
InChIInChI=1S/C14H18FN5OS/c1-8(4-5-12-11(15)6-7-22-12)16-13-17-9(2)18-14(20-13)19-10(3)21/h6-8H,4-5H2,1-3H3,(H2,16,17,18,19,20,21)
InChIKeyHESYFSRSSGRSIU-UHFFFAOYSA-N
XLogP2.77
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide (CID 22090971) is N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is CC(=O)Nc1nc(C)nc(NC(C)CCc2sccc2F)n1.
What is the InChIKey of N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The InChIKey is HESYFSRSSGRSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5OS/c1-8(4-5-12-11(15)6-7-22-12)16-13-17-9(2)18-14(20-13)19-10(3)21/h6-8H,4-5H2,1-3H3,(H2,16,17,18,19,20,21).
What are the key properties of N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-fluorothiophen-2-yl)butan-2-ylamino]-6-methyl-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 22090971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).