2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

C12H17ClN4OS — CID 105125386

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCc1nn(C)c(Cl)c1CC(O)c1snnc1C(C)C
InChIInChI=1S/C12H17ClN4OS/c1-6(2)10-11(19-16-14-10)9(18)5-8-7(3)15-17(4)12(8)13/h6,9,18H,5H2,1-4H3
InChIKeyWQILCVDKZKUJPW-UHFFFAOYSA-N
MW300.82 g/mol
LogP2.63
Rot. Bonds4

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (PubChem CID 105125386) has the molecular formula C12H17ClN4OS and a molecular weight of 300.82 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
PubChem CID105125386
Molecular FormulaC12H17ClN4OS
Molecular Weight300.82 g/mol
Exact Mass300.08
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
SMILESCc1nn(C)c(Cl)c1CC(O)c1snnc1C(C)C
InChIInChI=1S/C12H17ClN4OS/c1-6(2)10-11(19-16-14-10)9(18)5-8-7(3)15-17(4)12(8)13/h6,9,18H,5H2,1-4H3
InChIKeyWQILCVDKZKUJPW-UHFFFAOYSA-N
XLogP2.63
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.82
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105106544
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 103408238
[2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-ethylthiadiazol-5-yl)ethyl]hydrazine
CID 105334082
2-(2-methyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105107127
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105158761
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105125344
1-(4-aminophenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 106695531
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 105158843
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832380
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105086779
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 113470074
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)ethanol
CID 115832346

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol (CID 105125386) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is Cc1nn(C)c(Cl)c1CC(O)c1snnc1C(C)C.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
The InChIKey is WQILCVDKZKUJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4OS/c1-6(2)10-11(19-16-14-10)9(18)5-8-7(3)15-17(4)12(8)13/h6,9,18H,5H2,1-4H3.
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol has a molecular weight of 300.82 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol is sourced from PubChem (CID 105125386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).