N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide

C17H24FN5OS — CID 70246608

IUPACN-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide
SMILESCC[C@H](CCc1cccs1)Nc1nc(NC(C)=O)nc(C(C)(C)F)n1
InChIInChI=1S/C17H24FN5OS/c1-5-12(8-9-13-7-6-10-25-13)20-16-22-14(17(3,4)18)21-15(23-16)19-11(2)24/h6-7,10,12H,5,8-9H2,1-4H3,(H2,19,20,21,22,23,24)/t12-/m1/s1
InChIKeyTYXQOHXNFRSNLR-GFCCVEGCSA-N
MW365.48 g/mol
LogP3.92
Rot. Bonds8

About N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide

N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide (PubChem CID 70246608) has the molecular formula C17H24FN5OS and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide
PubChem CID70246608
Molecular FormulaC17H24FN5OS
Molecular Weight365.48 g/mol
Exact Mass365.17
IUPAC NameN-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide
SMILESCC[C@H](CCc1cccs1)Nc1nc(NC(C)=O)nc(C(C)(C)F)n1
InChIInChI=1S/C17H24FN5OS/c1-5-12(8-9-13-7-6-10-25-13)20-16-22-14(17(3,4)18)21-15(23-16)19-11(2)24/h6-7,10,12H,5,8-9H2,1-4H3,(H2,19,20,21,22,23,24)/t12-/m1/s1
InChIKeyTYXQOHXNFRSNLR-GFCCVEGCSA-N
XLogP3.92
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide?
The IUPAC name of N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide (CID 70246608) is N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide.
What is the SMILES notation for N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide?
The canonical SMILES for N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide is CC[C@H](CCc1cccs1)Nc1nc(NC(C)=O)nc(C(C)(C)F)n1.
What is the InChIKey of N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide?
The InChIKey is TYXQOHXNFRSNLR-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24FN5OS/c1-5-12(8-9-13-7-6-10-25-13)20-16-22-14(17(3,4)18)21-15(23-16)19-11(2)24/h6-7,10,12H,5,8-9H2,1-4H3,(H2,19,20,21,22,23,24)/t12-/m1/s1.
What are the key properties of N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide?
N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]acetamide is sourced from PubChem (CID 70246608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).