2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide

C18H23N7OS — CID 91793472

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCc1nc(CC(=O)NC2CC(c3nnc(Cn4cccn4)n3C)C2)c(C)s1
InChIInChI=1S/C18H23N7OS/c1-11-15(20-12(2)27-11)9-17(26)21-14-7-13(8-14)18-23-22-16(24(18)3)10-25-6-4-5-19-25/h4-6,13-14H,7-10H2,1-3H3,(H,21,26)
InChIKeyGDAFZRDVJJMYQW-UHFFFAOYSA-N
MW385.50 g/mol
LogP1.74
Rot. Bonds6

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91793472) has the molecular formula C18H23N7OS and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91793472
Molecular FormulaC18H23N7OS
Molecular Weight385.50 g/mol
Exact Mass385.17
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCc1nc(CC(=O)NC2CC(c3nnc(Cn4cccn4)n3C)C2)c(C)s1
InChIInChI=1S/C18H23N7OS/c1-11-15(20-12(2)27-11)9-17(26)21-14-7-13(8-14)18-23-22-16(24(18)3)10-25-6-4-5-19-25/h4-6,13-14H,7-10H2,1-3H3,(H,21,26)
InChIKeyGDAFZRDVJJMYQW-UHFFFAOYSA-N
XLogP1.74
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91793472) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide is Cc1nc(CC(=O)NC2CC(c3nnc(Cn4cccn4)n3C)C2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is GDAFZRDVJJMYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7OS/c1-11-15(20-12(2)27-11)9-17(26)21-14-7-13(8-14)18-23-22-16(24(18)3)10-25-6-4-5-19-25/h4-6,13-14H,7-10H2,1-3H3,(H,21,26).
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 385.50 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91793472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).