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

C18H26FN5OS — CID 70246875

IUPACN-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(N[C@H](CC)CCc2cccs2)nc(C(C)(C)F)n1
InChIInChI=1S/C18H26FN5OS/c1-5-12(9-10-13-8-7-11-26-13)20-16-22-15(18(3,4)19)23-17(24-16)21-14(25)6-2/h7-8,11-12H,5-6,9-10H2,1-4H3,(H2,20,21,22,23,24,25)/t12-/m1/s1
InChIKeyQEDQGQSWQDIEJJ-GFCCVEGCSA-N
MW379.51 g/mol
LogP4.31
Rot. Bonds9

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

N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]propanamide (PubChem CID 70246875) has the molecular formula C18H26FN5OS and a molecular weight of 379.51 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]propanamide.

Molecular Properties

Compound NameN-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]propanamide
PubChem CID70246875
Molecular FormulaC18H26FN5OS
Molecular Weight379.51 g/mol
Exact Mass379.18
IUPAC NameN-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]propanamide
SMILESCCC(=O)Nc1nc(N[C@H](CC)CCc2cccs2)nc(C(C)(C)F)n1
InChIInChI=1S/C18H26FN5OS/c1-5-12(9-10-13-8-7-11-26-13)20-16-22-15(18(3,4)19)23-17(24-16)21-14(25)6-2/h7-8,11-12H,5-6,9-10H2,1-4H3,(H2,20,21,22,23,24,25)/t12-/m1/s1
InChIKeyQEDQGQSWQDIEJJ-GFCCVEGCSA-N
XLogP4.31
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 54.31
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]propanamide?
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]propanamide (CID 70246875) is N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]propanamide.
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]propanamide?
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]propanamide is CCC(=O)Nc1nc(N[C@H](CC)CCc2cccs2)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]propanamide?
The InChIKey is QEDQGQSWQDIEJJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H26FN5OS/c1-5-12(9-10-13-8-7-11-26-13)20-16-22-15(18(3,4)19)23-17(24-16)21-14(25)6-2/h7-8,11-12H,5-6,9-10H2,1-4H3,(H2,20,21,22,23,24,25)/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]propanamide?
N-[4-(2-fluoropropan-2-yl)-6-[[(3R)-1-thiophen-2-ylpentan-3-yl]amino]-1,3,5-triazin-2-yl]propanamide has a molecular weight of 379.51 g/mol, XLogP of 4.31, 9 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]propanamide is sourced from PubChem (CID 70246875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).