[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone

C15H20N4OS — CID 146084265

IUPAC[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
SMILESCCc1sc(C(=O)N2CC(n3nc(C)nc3C)C2)cc1C
InChIInChI=1S/C15H20N4OS/c1-5-13-9(2)6-14(21-13)15(20)18-7-12(8-18)19-11(4)16-10(3)17-19/h6,12H,5,7-8H2,1-4H3
InChIKeyHJLQGDVBEGJVBC-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.52
Rot. Bonds3

About [3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone

[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone (PubChem CID 146084265) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is [3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
PubChem CID146084265
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
SMILESCCc1sc(C(=O)N2CC(n3nc(C)nc3C)C2)cc1C
InChIInChI=1S/C15H20N4OS/c1-5-13-9(2)6-14(21-13)15(20)18-7-12(8-18)19-11(4)16-10(3)17-19/h6,12H,5,7-8H2,1-4H3
InChIKeyHJLQGDVBEGJVBC-UHFFFAOYSA-N
XLogP2.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone with MolForge

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Related Compounds

2-[1-(5-ethyl-4-methylthiophene-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605779
(5-ethyl-4-methylthiophen-2-yl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934725
(5-ethyl-4-methylthiophen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900208
(3-chlorophenyl)-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone
CID 138993897
1-[4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134057870
3-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidine-1-carbonyl]-N-propylbenzamide
CID 138993894
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95737234
[4-(ethylaminomethyl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 119645835
2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone
CID 128524883
N,N-diethyl-4-(5-ethyl-4-methylthiophene-2-carbonyl)piperazine-1-sulfonamide
CID 55528101
(5-ethyl-4-methylthiophen-2-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51308013
[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone
CID 9223943

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone?
The IUPAC name of [3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone (CID 146084265) is [3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone?
The canonical SMILES for [3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone is CCc1sc(C(=O)N2CC(n3nc(C)nc3C)C2)cc1C.
What is the InChIKey of [3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone?
The InChIKey is HJLQGDVBEGJVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-5-13-9(2)6-14(21-13)15(20)18-7-12(8-18)19-11(4)16-10(3)17-19/h6,12H,5,7-8H2,1-4H3.
What are the key properties of [3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone?
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone has a molecular weight of 304.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]-(5-ethyl-4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 146084265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).