N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

C15H16F2N8O3S2 — CID 142415440

IUPACN-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCNC(c3cc(C(F)F)n4ncnc4n3)C2)s1
InChIInChI=1S/C15H16F2N8O3S2/c1-8(26)22-15-19-5-12(29-15)30(27,28)24-3-2-18-10(6-24)9-4-11(13(16)17)25-14(23-9)20-7-21-25/h4-5,7,10,13,18H,2-3,6H2,1H3,(H,19,22,26)
InChIKeyATPVVHQMZHDTMY-UHFFFAOYSA-N
MW458.48 g/mol
LogP0.81
Rot. Bonds5

About N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide

N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (PubChem CID 142415440) has the molecular formula C15H16F2N8O3S2 and a molecular weight of 458.48 g/mol. Its IUPAC name is N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
PubChem CID142415440
Molecular FormulaC15H16F2N8O3S2
Molecular Weight458.48 g/mol
Exact Mass458.08
IUPAC NameN-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N2CCNC(c3cc(C(F)F)n4ncnc4n3)C2)s1
InChIInChI=1S/C15H16F2N8O3S2/c1-8(26)22-15-19-5-12(29-15)30(27,28)24-3-2-18-10(6-24)9-4-11(13(16)17)25-14(23-9)20-7-21-25/h4-5,7,10,13,18H,2-3,6H2,1H3,(H,19,22,26)
InChIKeyATPVVHQMZHDTMY-UHFFFAOYSA-N
XLogP0.81
TPSA134.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.48
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide (CID 142415440) is N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N2CCNC(c3cc(C(F)F)n4ncnc4n3)C2)s1.
What is the InChIKey of N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is ATPVVHQMZHDTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N8O3S2/c1-8(26)22-15-19-5-12(29-15)30(27,28)24-3-2-18-10(6-24)9-4-11(13(16)17)25-14(23-9)20-7-21-25/h4-5,7,10,13,18H,2-3,6H2,1H3,(H,19,22,26).
What are the key properties of N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide?
N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 458.48 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 142415440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).