(5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol

C15H19NOS — CID 113297017

IUPAC(5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)c2ccc(C(C)(C)C)s2)c1
InChIInChI=1S/C15H19NOS/c1-10-7-11(9-16-8-10)14(17)12-5-6-13(18-12)15(2,3)4/h5-9,14,17H,1-4H3
InChIKeyINSFVERKMUFYII-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.83
Rot. Bonds2

About (5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol

(5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol (PubChem CID 113297017) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol
PubChem CID113297017
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name(5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol
SMILESCc1cncc(C(O)c2ccc(C(C)(C)C)s2)c1
InChIInChI=1S/C15H19NOS/c1-10-7-11(9-16-8-10)14(17)12-5-6-13(18-12)15(2,3)4/h5-9,14,17H,1-4H3
InChIKeyINSFVERKMUFYII-UHFFFAOYSA-N
XLogP3.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-methyl-3-pyridinyl)-pyridin-4-ylmethanol
CID 115373622
(3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol
CID 107955729
(3-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol
CID 107991317
(5-tert-butylthiophen-2-yl)-(3-propylphenyl)methanol
CID 116542757
(5-methyl-3-pyridinyl)-(4-methyl-1,3-thiazol-2-yl)methanol
CID 104769478
(5-tert-butylthiophen-2-yl)-isoquinolin-8-ylmethanol
CID 103143008
furan-2-yl-(5-methyl-3-pyridinyl)methanol
CID 115373621
(4-ethylphenyl)-(5-methyl-3-pyridinyl)methanol
CID 115373656
(5-tert-butylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methanol
CID 114520982
2-methoxy-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol
CID 115374188
2-(dimethylamino)-2-methyl-1-(5-methyl-3-pyridinyl)propan-1-ol
CID 115374166
(5-methyl-3-pyridinyl)-pyridin-2-ylmethanol
CID 115373637

Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol?
The IUPAC name of (5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol (CID 113297017) is (5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol is Cc1cncc(C(O)c2ccc(C(C)(C)C)s2)c1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol?
The InChIKey is INSFVERKMUFYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-10-7-11(9-16-8-10)14(17)12-5-6-13(18-12)15(2,3)4/h5-9,14,17H,1-4H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol?
(5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol has a molecular weight of 261.39 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 113297017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).