1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol

C13H19N3OS — CID 83091460

IUPAC1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol
SMILESCn1cc(C(O)Cc2nccs2)c(C(C)(C)C)n1
InChIInChI=1S/C13H19N3OS/c1-13(2,3)12-9(8-16(4)15-12)10(17)7-11-14-5-6-18-11/h5-6,8,10,17H,7H2,1-4H3
InChIKeyFEJCVSXNSCFJBA-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.45
Rot. Bonds3

About 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol

1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol (PubChem CID 83091460) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol
PubChem CID83091460
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol
SMILESCn1cc(C(O)Cc2nccs2)c(C(C)(C)C)n1
InChIInChI=1S/C13H19N3OS/c1-13(2,3)12-9(8-16(4)15-12)10(17)7-11-14-5-6-18-11/h5-6,8,10,17H,7H2,1-4H3
InChIKeyFEJCVSXNSCFJBA-UHFFFAOYSA-N
XLogP2.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol?
The IUPAC name of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol (CID 83091460) is 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol?
The canonical SMILES for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol is Cn1cc(C(O)Cc2nccs2)c(C(C)(C)C)n1.
What is the InChIKey of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol?
The InChIKey is FEJCVSXNSCFJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-13(2,3)12-9(8-16(4)15-12)10(17)7-11-14-5-6-18-11/h5-6,8,10,17H,7H2,1-4H3.
What are the key properties of 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol?
1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol has a molecular weight of 265.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-methylpyrazol-4-yl)-2-(1,3-thiazol-2-yl)ethanol is sourced from PubChem (CID 83091460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).