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

C13H19N3OS — CID 79820427

IUPAC2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(C(O)Cc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C13H19N3OS/c1-13(2,3)11-8-18-12(14-11)7-10(17)9-5-6-16(4)15-9/h5-6,8,10,17H,7H2,1-4H3
InChIKeyRLIHAFFINMLDRP-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.45
Rot. Bonds3

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

2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol (PubChem CID 79820427) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
PubChem CID79820427
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol
SMILESCn1ccc(C(O)Cc2nc(C(C)(C)C)cs2)n1
InChIInChI=1S/C13H19N3OS/c1-13(2,3)11-8-18-12(14-11)7-10(17)9-5-6-16(4)15-9/h5-6,8,10,17H,7H2,1-4H3
InChIKeyRLIHAFFINMLDRP-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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Related Compounds

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 79825756
1-(4-aminophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 106695410
1-(5-bromothiophen-3-yl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 105115581
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chlorophenyl)ethanol
CID 79819548
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-4-methylphenyl)ethanol
CID 115822986
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(5-methyl-3-pyridinyl)ethanol
CID 105115618
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanol
CID 105115668
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(2-ethylphenyl)ethanol
CID 79820321
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethanol
CID 103129068
1-(3-bromo-4-chlorophenyl)-2-(4-tert-butyl-1,3-thiazol-2-yl)ethanol
CID 115566299
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-[3-(methoxymethyl)phenyl]ethanol
CID 79827482

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol (CID 79820427) is 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol is Cn1ccc(C(O)Cc2nc(C(C)(C)C)cs2)n1.
What is the InChIKey of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is RLIHAFFINMLDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-13(2,3)11-8-18-12(14-11)7-10(17)9-5-6-16(4)15-9/h5-6,8,10,17H,7H2,1-4H3.
What are the key properties of 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol?
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-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 2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 79820427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).