N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H16F3N7OS — CID 142415451

IUPACN-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(c3cc(C(F)(F)F)nc4ncnn34)C2)s1
InChIInChI=1S/C16H16F3N7OS/c1-9(27)23-15-20-5-11(28-15)7-25-3-2-10(6-25)12-4-13(16(17,18)19)24-14-21-8-22-26(12)14/h4-5,8,10H,2-3,6-7H2,1H3,(H,20,23,27)
InChIKeySGFKBGOCRLTYCX-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.55
Rot. Bonds4

About N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415451) has the molecular formula C16H16F3N7OS and a molecular weight of 411.41 g/mol. Its IUPAC name is N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415451
Molecular FormulaC16H16F3N7OS
Molecular Weight411.41 g/mol
Exact Mass411.11
IUPAC NameN-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(c3cc(C(F)(F)F)nc4ncnn34)C2)s1
InChIInChI=1S/C16H16F3N7OS/c1-9(27)23-15-20-5-11(28-15)7-25-3-2-10(6-25)12-4-13(16(17,18)19)24-14-21-8-22-26(12)14/h4-5,8,10H,2-3,6-7H2,1H3,(H,20,23,27)
InChIKeySGFKBGOCRLTYCX-UHFFFAOYSA-N
XLogP2.55
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415451) is N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(c3cc(C(F)(F)F)nc4ncnn34)C2)s1.
What is the InChIKey of N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SGFKBGOCRLTYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7OS/c1-9(27)23-15-20-5-11(28-15)7-25-3-2-10(6-25)12-4-13(16(17,18)19)24-14-21-8-22-26(12)14/h4-5,8,10H,2-3,6-7H2,1H3,(H,20,23,27).
What are the key properties of N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 411.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).