1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol

C11H19NOS — CID 58592860

IUPAC1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1nc(CC(C)O)sc1C(C)(C)C
InChIInChI=1S/C11H19NOS/c1-7(13)6-9-12-8(2)10(14-9)11(3,4)5/h7,13H,6H2,1-5H3
InChIKeyIXTFHHGVLIKQFU-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.67
Rot. Bonds2

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

1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol (PubChem CID 58592860) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol
PubChem CID58592860
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol
SMILESCc1nc(CC(C)O)sc1C(C)(C)C
InChIInChI=1S/C11H19NOS/c1-7(13)6-9-12-8(2)10(14-9)11(3,4)5/h7,13H,6H2,1-5H3
InChIKeyIXTFHHGVLIKQFU-UHFFFAOYSA-N
XLogP2.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol (CID 58592860) is 1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol is Cc1nc(CC(C)O)sc1C(C)(C)C.
What is the InChIKey of 1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is IXTFHHGVLIKQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-7(13)6-9-12-8(2)10(14-9)11(3,4)5/h7,13H,6H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol?
1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 213.35 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 58592860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).