[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol

C12H15NO2S — CID 82439271

IUPAC[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)c1nc(-c2ccco2)sc1CO
InChIInChI=1S/C12H15NO2S/c1-12(2,3)10-9(7-14)16-11(13-10)8-5-4-6-15-8/h4-6,14H,7H2,1-3H3
InChIKeyNBZHMSLJGSVSLH-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.19
Rot. Bonds2

About [4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol

[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 82439271) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is [4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol
PubChem CID82439271
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)(C)c1nc(-c2ccco2)sc1CO
InChIInChI=1S/C12H15NO2S/c1-12(2,3)10-9(7-14)16-11(13-10)8-5-4-6-15-8/h4-6,14H,7H2,1-3H3
InChIKeyNBZHMSLJGSVSLH-UHFFFAOYSA-N
XLogP3.19
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol (CID 82439271) is [4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol is CC(C)(C)c1nc(-c2ccco2)sc1CO.
What is the InChIKey of [4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is NBZHMSLJGSVSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c1-12(2,3)10-9(7-14)16-11(13-10)8-5-4-6-15-8/h4-6,14H,7H2,1-3H3.
What are the key properties of [4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 237.32 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82439271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).