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

C15H21N5O2S — CID 91763940

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCc1nc(C)c(CC(=O)NC2CC(c3nnc(CO)n3C)C2)s1
InChIInChI=1S/C15H21N5O2S/c1-8-12(23-9(2)16-8)6-14(22)17-11-4-10(5-11)15-19-18-13(7-21)20(15)3/h10-11,21H,4-7H2,1-3H3,(H,17,22)
InChIKeyZCARWQFBPCFKQC-UHFFFAOYSA-N
MW335.43 g/mol
LogP0.99
Rot. Bonds5

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

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91763940) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91763940
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCc1nc(C)c(CC(=O)NC2CC(c3nnc(CO)n3C)C2)s1
InChIInChI=1S/C15H21N5O2S/c1-8-12(23-9(2)16-8)6-14(22)17-11-4-10(5-11)15-19-18-13(7-21)20(15)3/h10-11,21H,4-7H2,1-3H3,(H,17,22)
InChIKeyZCARWQFBPCFKQC-UHFFFAOYSA-N
XLogP0.99
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91763940) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is Cc1nc(C)c(CC(=O)NC2CC(c3nnc(CO)n3C)C2)s1.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is ZCARWQFBPCFKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-8-12(23-9(2)16-8)6-14(22)17-11-4-10(5-11)15-19-18-13(7-21)20(15)3/h10-11,21H,4-7H2,1-3H3,(H,17,22).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 335.43 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91763940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).