1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol

C10H12BrN3OS — CID 105109063

IUPAC1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
SMILESCCn1ncnc1CC(O)c1csc(Br)c1
InChIInChI=1S/C10H12BrN3OS/c1-2-14-10(12-6-13-14)4-8(15)7-3-9(11)16-5-7/h3,5-6,8,15H,2,4H2,1H3
InChIKeyCGYWQYHGNRKQBG-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.40
Rot. Bonds4

About 1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol

1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 105109063) has the molecular formula C10H12BrN3OS and a molecular weight of 302.20 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
PubChem CID105109063
Molecular FormulaC10H12BrN3OS
Molecular Weight302.20 g/mol
Exact Mass300.99
IUPAC Name1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
SMILESCCn1ncnc1CC(O)c1csc(Br)c1
InChIInChI=1S/C10H12BrN3OS/c1-2-14-10(12-6-13-14)4-8(15)7-3-9(11)16-5-7/h3,5-6,8,15H,2,4H2,1H3
InChIKeyCGYWQYHGNRKQBG-UHFFFAOYSA-N
XLogP2.40
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(difluoromethyl)phenyl]-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 115524867
1-(3-aminophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 106695795
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572689
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propan-2-ylpyrazol-4-yl)ethanol
CID 114075656
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(5-iodothiophen-3-yl)ethanamine
CID 105002287
5-[2-(bromomethyl)-3,3-dimethylbutyl]-1-ethyl-1,2,4-triazole
CID 83141414
1-(5-chloro-1-methylimidazol-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 114239421
1-(5-bromothiophen-3-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 105159570
1-(2-ethyl-1,2,4-triazol-3-yl)-3-thiophen-3-ylpropan-2-ol
CID 105109200
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
2-(2-ethyl-1,2,4-triazol-3-yl)-1-quinolin-5-ylethanol
CID 105109180
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol (CID 105109063) is 1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol is CCn1ncnc1CC(O)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is CGYWQYHGNRKQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3OS/c1-2-14-10(12-6-13-14)4-8(15)7-3-9(11)16-5-7/h3,5-6,8,15H,2,4H2,1H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol?
1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 302.20 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 105109063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).