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

C14H16FN5OS — CID 59874340

IUPACN-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC(c2ccc(F)s2)C2CC2)n1
InChIInChI=1S/C14H16FN5OS/c1-7-16-13(18-8(2)21)20-14(17-7)19-12(9-3-4-9)10-5-6-11(15)22-10/h5-6,9,12H,3-4H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKeyDOVVOYDXDYDBAK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.90
Rot. Bonds5

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

N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide (PubChem CID 59874340) has the molecular formula C14H16FN5OS and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide
PubChem CID59874340
Molecular FormulaC14H16FN5OS
Molecular Weight321.38 g/mol
Exact Mass321.11
IUPAC NameN-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)nc(NC(c2ccc(F)s2)C2CC2)n1
InChIInChI=1S/C14H16FN5OS/c1-7-16-13(18-8(2)21)20-14(17-7)19-12(9-3-4-9)10-5-6-11(15)22-10/h5-6,9,12H,3-4H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKeyDOVVOYDXDYDBAK-UHFFFAOYSA-N
XLogP2.90
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide (CID 59874340) is N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide is CC(=O)Nc1nc(C)nc(NC(c2ccc(F)s2)C2CC2)n1.
What is the InChIKey of N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
The InChIKey is DOVVOYDXDYDBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5OS/c1-7-16-13(18-8(2)21)20-14(17-7)19-12(9-3-4-9)10-5-6-11(15)22-10/h5-6,9,12H,3-4H2,1-2H3,(H2,16,17,18,19,20,21).
What are the key properties of N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide?
N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[cyclopropyl-(5-fluorothiophen-2-yl)methyl]amino]-6-methyl-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 59874340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).