2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone

C13H19N5OS — CID 105110575

IUPAC2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)Cc1ncnn1CC(C)C
InChIInChI=1S/C13H19N5OS/c1-4-5-10-13(20-17-16-10)11(19)6-12-14-8-15-18(12)7-9(2)3/h8-9H,4-7H2,1-3H3
InChIKeyGEORNNPAWGBIMR-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.16
Rot. Bonds7

About 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone

2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone (PubChem CID 105110575) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone
PubChem CID105110575
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone
SMILESCCCc1nnsc1C(=O)Cc1ncnn1CC(C)C
InChIInChI=1S/C13H19N5OS/c1-4-5-10-13(20-17-16-10)11(19)6-12-14-8-15-18(12)7-9(2)3/h8-9H,4-7H2,1-3H3
InChIKeyGEORNNPAWGBIMR-UHFFFAOYSA-N
XLogP2.16
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-ethylthiadiazol-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 105110386
1-(3-ethylthiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
CID 114981759
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methyl-1,3-thiazol-5-yl)ethanone
CID 105110681
1-(5-chlorothiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
CID 114981907
1,1-difluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-one
CID 112574058
N-ethyl-1-(4-ethylthiadiazol-5-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
CID 105160846
4-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]hexan-2-one
CID 114981841
3-amino-3-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]pentan-2-one
CID 116590520
1-(4-methoxythiophen-2-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
CID 114982006
1-[4-(dimethylamino)phenyl]-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanone
CID 105110566
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-thieno[3,2-b]thiophen-5-ylethanone
CID 114981752
N-ethyl-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-methylthiadiazol-5-yl)ethanamine
CID 105160788

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone?
The IUPAC name of 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone (CID 105110575) is 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone.
What is the SMILES notation for 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone?
The canonical SMILES for 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone is CCCc1nnsc1C(=O)Cc1ncnn1CC(C)C.
What is the InChIKey of 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone?
The InChIKey is GEORNNPAWGBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-4-5-10-13(20-17-16-10)11(19)6-12-14-8-15-18(12)7-9(2)3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone?
2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone has a molecular weight of 293.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(4-propylthiadiazol-5-yl)ethanone is sourced from PubChem (CID 105110575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).