1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol

C12H18N4OS — CID 107046248

IUPAC1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)c2ccc(C(C)(C)C)s2)n1
InChIInChI=1S/C12H18N4OS/c1-12(2,3)10-6-5-9(18-10)8(17)7-11-13-15-16(4)14-11/h5-6,8,17H,7H2,1-4H3
InChIKeyRAZYPKCELNOCGZ-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.85
Rot. Bonds3

About 1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol

1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol (PubChem CID 107046248) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
PubChem CID107046248
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol
SMILESCn1nnc(CC(O)c2ccc(C(C)(C)C)s2)n1
InChIInChI=1S/C12H18N4OS/c1-12(2,3)10-6-5-9(18-10)8(17)7-11-13-15-16(4)14-11/h5-6,8,17H,7H2,1-4H3
InChIKeyRAZYPKCELNOCGZ-UHFFFAOYSA-N
XLogP1.85
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045900
1-(2-aminophenyl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107047811
1-(2,5-dimethylthiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107045984
4-[1-hydroxy-2-(2-methyltetrazol-5-yl)ethyl]benzaldehyde
CID 20601525
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 107045890
[1-(5-bromothiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethyl]hydrazine
CID 107066094
1-(5-tert-butylthiophen-2-yl)ethanol
CID 58902618
2-(2-methyltetrazol-5-yl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 107065711
3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107047970
1-[4-(methoxymethyl)phenyl]-2-(2-methyltetrazol-5-yl)ethanol
CID 107046110
2-(2-methyltetrazol-5-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 107046537
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanol
CID 107065836

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol?
The IUPAC name of 1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol (CID 107046248) is 1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol.
What is the SMILES notation for 1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol?
The canonical SMILES for 1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol is Cn1nnc(CC(O)c2ccc(C(C)(C)C)s2)n1.
What is the InChIKey of 1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol?
The InChIKey is RAZYPKCELNOCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-12(2,3)10-6-5-9(18-10)8(17)7-11-13-15-16(4)14-11/h5-6,8,17H,7H2,1-4H3.
What are the key properties of 1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol?
1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol has a molecular weight of 266.37 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylthiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanol is sourced from PubChem (CID 107046248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).