(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol

C11H17NOS — CID 82436959

IUPAC(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol
SMILESCC(C)(C)c1nc(C2CC2)c(CO)s1
InChIInChI=1S/C11H17NOS/c1-11(2,3)10-12-9(7-4-5-7)8(6-13)14-10/h7,13H,4-6H2,1-3H3
InChIKeyDLUDSYJQAXTVAM-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.81
Rot. Bonds2

About (2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol

(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol (PubChem CID 82436959) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol
PubChem CID82436959
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol
SMILESCC(C)(C)c1nc(C2CC2)c(CO)s1
InChIInChI=1S/C11H17NOS/c1-11(2,3)10-12-9(7-4-5-7)8(6-13)14-10/h7,13H,4-6H2,1-3H3
InChIKeyDLUDSYJQAXTVAM-UHFFFAOYSA-N
XLogP2.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol (CID 82436959) is (2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol is CC(C)(C)c1nc(C2CC2)c(CO)s1.
What is the InChIKey of (2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol?
The InChIKey is DLUDSYJQAXTVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-11(2,3)10-12-9(7-4-5-7)8(6-13)14-10/h7,13H,4-6H2,1-3H3.
What are the key properties of (2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol?
(2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol has a molecular weight of 211.33 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-4-cyclopropyl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 82436959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).