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

C16H22N6OS — CID 91780598

IUPACN-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(CN3CC(c4nccs4)C3)n2C)C1
InChIInChI=1S/C16H22N6OS/c1-10(23)18-13-5-11(6-13)15-20-19-14(21(15)2)9-22-7-12(8-22)16-17-3-4-24-16/h3-4,11-13H,5-9H2,1-2H3,(H,18,23)
InChIKeyJILBNDWUSRWLCV-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.25
Rot. Bonds5

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

N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide (PubChem CID 91780598) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
PubChem CID91780598
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC NameN-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
SMILESCC(=O)NC1CC(c2nnc(CN3CC(c4nccs4)C3)n2C)C1
InChIInChI=1S/C16H22N6OS/c1-10(23)18-13-5-11(6-13)15-20-19-14(21(15)2)9-22-7-12(8-22)16-17-3-4-24-16/h3-4,11-13H,5-9H2,1-2H3,(H,18,23)
InChIKeyJILBNDWUSRWLCV-UHFFFAOYSA-N
XLogP1.25
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 91771292
N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91777653
N-[3-[4-methyl-5-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91785789
N-[3-[4-methyl-5-[(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethylamino)methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91795785
N-[3-[4-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91767492
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CID 91782556
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CID 72870073
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N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxopiperidin-1-yl)acetamide
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(2S)-2-[4-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 124757710
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide
CID 91786458

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The IUPAC name of N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide (CID 91780598) is N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide.
What is the SMILES notation for N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The canonical SMILES for N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide is CC(=O)NC1CC(c2nnc(CN3CC(c4nccs4)C3)n2C)C1.
What is the InChIKey of N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
The InChIKey is JILBNDWUSRWLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-10(23)18-13-5-11(6-13)15-20-19-14(21(15)2)9-22-7-12(8-22)16-17-3-4-24-16/h3-4,11-13H,5-9H2,1-2H3,(H,18,23).
What are the key properties of N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide?
N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-methyl-5-[[3-(1,3-thiazol-2-yl)azetidin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutyl]acetamide is sourced from PubChem (CID 91780598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).