1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone

C14H20N4OS — CID 105109961

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2snnc2C(C)(C)C)n(C)n1
InChIInChI=1S/C14H20N4OS/c1-6-9-7-10(18(5)16-9)8-11(19)12-13(14(2,3)4)15-17-20-12/h7H,6,8H2,1-5H3
InChIKeyPLJWDKCTIPEDAB-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.56
Rot. Bonds4

About 1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone

1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone (PubChem CID 105109961) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
PubChem CID105109961
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
SMILESCCc1cc(CC(=O)c2snnc2C(C)(C)C)n(C)n1
InChIInChI=1S/C14H20N4OS/c1-6-9-7-10(18(5)16-9)8-11(19)12-13(14(2,3)4)15-17-20-12/h7H,6,8H2,1-5H3
InChIKeyPLJWDKCTIPEDAB-UHFFFAOYSA-N
XLogP2.56
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-2-(1-methyltriazol-4-yl)ethanone
CID 107062904
4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573647
1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
CID 114980926
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
1-(3,4-dichlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 81491473
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanone
CID 105109471
4-tert-butyl-N,N-diethylthiadiazole-5-carboxamide
CID 65210557
1-(4-tert-butylthiadiazol-5-yl)nonan-1-one
CID 105087241
1-(2,6-dimethyl-3-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109982
1-(4-tert-butylthiadiazol-5-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376814
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 106847846
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 114980916

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone (CID 105109961) is 1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone is CCc1cc(CC(=O)c2snnc2C(C)(C)C)n(C)n1.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
The InChIKey is PLJWDKCTIPEDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-6-9-7-10(18(5)16-9)8-11(19)12-13(14(2,3)4)15-17-20-12/h7H,6,8H2,1-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone?
1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone has a molecular weight of 292.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone is sourced from PubChem (CID 105109961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).