2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol

C13H20N4OS — CID 105103422

IUPAC2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H20N4OS/c1-4-5-11-13(19-16-14-11)12(18)8-10-6-7-17(15-10)9(2)3/h6-7,9,12,18H,4-5,8H2,1-3H3
InChIKeyAUYXHYUYNYCXCD-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.54
Rot. Bonds6

About 2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol

2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol (PubChem CID 105103422) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol
PubChem CID105103422
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol
SMILESCCCc1nnsc1C(O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H20N4OS/c1-4-5-11-13(19-16-14-11)12(18)8-10-6-7-17(15-10)9(2)3/h6-7,9,12,18H,4-5,8H2,1-3H3
InChIKeyAUYXHYUYNYCXCD-UHFFFAOYSA-N
XLogP2.54
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-butan-2-ylpyrazol-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 105103273
1-(4-methylthiadiazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105154948
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-(1-propan-2-ylpyrazol-3-yl)hexane-2,3-diol
CID 103454908
1-(5-bromothiophen-3-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103317
1-(4-bromothiophen-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64773157
1-(1-methylpyrazol-4-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64772056
3-methyl-1-(4-propylthiadiazol-5-yl)hexan-1-ol
CID 105089797
1-(2-methylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770812
1-(1-propan-2-ylpyrazol-3-yl)nonan-2-ol
CID 64770989
1-(1,3-diethylpyrazol-5-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 105103405
1-(4-cyclopropylphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 79980806

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol (CID 105103422) is 2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol is CCCc1nnsc1C(O)Cc1ccn(C(C)C)n1.
What is the InChIKey of 2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
The InChIKey is AUYXHYUYNYCXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-4-5-11-13(19-16-14-11)12(18)8-10-6-7-17(15-10)9(2)3/h6-7,9,12,18H,4-5,8H2,1-3H3.
What are the key properties of 2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol?
2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol has a molecular weight of 280.40 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpyrazol-3-yl)-1-(4-propylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105103422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).