N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide

C19H21F2N7OS — CID 142415565

IUPACN-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CC3)C(c3cc(C(F)F)nc4ncnn34)C2)s1
InChIInChI=1S/C19H21F2N7OS/c1-11(29)25-18-22-7-12(30-18)8-27-5-4-19(2-3-19)13(9-27)15-6-14(16(20)21)26-17-23-10-24-28(15)17/h6-7,10,13,16H,2-5,8-9H2,1H3,(H,22,25,29)
InChIKeyIUZFTEIDONYALX-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.25
Rot. Bonds5

About N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 142415565) has the molecular formula C19H21F2N7OS and a molecular weight of 433.49 g/mol. Its IUPAC name is N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID142415565
Molecular FormulaC19H21F2N7OS
Molecular Weight433.49 g/mol
Exact Mass433.15
IUPAC NameN-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC3(CC3)C(c3cc(C(F)F)nc4ncnn34)C2)s1
InChIInChI=1S/C19H21F2N7OS/c1-11(29)25-18-22-7-12(30-18)8-27-5-4-19(2-3-19)13(9-27)15-6-14(16(20)21)26-17-23-10-24-28(15)17/h6-7,10,13,16H,2-5,8-9H2,1H3,(H,22,25,29)
InChIKeyIUZFTEIDONYALX-UHFFFAOYSA-N
XLogP3.25
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 142415565) is N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC3(CC3)C(c3cc(C(F)F)nc4ncnn34)C2)s1.
What is the InChIKey of N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is IUZFTEIDONYALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N7OS/c1-11(29)25-18-22-7-12(30-18)8-27-5-4-19(2-3-19)13(9-27)15-6-14(16(20)21)26-17-23-10-24-28(15)17/h6-7,10,13,16H,2-5,8-9H2,1H3,(H,22,25,29).
What are the key properties of N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 433.49 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[8-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-6-azaspiro[2.5]octan-6-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).