2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol

C14H25NOS — CID 82438989

IUPAC2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)Cc1nc(C(C)(C)C)c(C(C)(C)O)s1
InChIInChI=1S/C14H25NOS/c1-9(2)8-10-15-11(13(3,4)5)12(17-10)14(6,7)16/h9,16H,8H2,1-7H3
InChIKeyANBBULFUHUYPPT-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.87
Rot. Bonds3

About 2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol

2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol (PubChem CID 82438989) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is 2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
PubChem CID82438989
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC Name2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol
SMILESCC(C)Cc1nc(C(C)(C)C)c(C(C)(C)O)s1
InChIInChI=1S/C14H25NOS/c1-9(2)8-10-15-11(13(3,4)5)12(17-10)14(6,7)16/h9,16H,8H2,1-7H3
InChIKeyANBBULFUHUYPPT-UHFFFAOYSA-N
XLogP3.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol (CID 82438989) is 2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol is CC(C)Cc1nc(C(C)(C)C)c(C(C)(C)O)s1.
What is the InChIKey of 2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol?
The InChIKey is ANBBULFUHUYPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-9(2)8-10-15-11(13(3,4)5)12(17-10)14(6,7)16/h9,16H,8H2,1-7H3.
What are the key properties of 2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol?
2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol has a molecular weight of 255.43 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]propan-2-ol is sourced from PubChem (CID 82438989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).