(1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol

C11H19NO3S — CID 134202846

IUPAC(1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol
SMILESCOOc1csc([C@H](O)C[C@@H](C)C(C)C)n1
InChIInChI=1S/C11H19NO3S/c1-7(2)8(3)5-9(13)11-12-10(6-16-11)15-14-4/h6-9,13H,5H2,1-4H3/t8-,9-/m1/s1
InChIKeyDHDBQQYNAUCXJI-RKDXNWHRSA-N
MW245.34 g/mol
LogP2.80
Rot. Bonds6

About (1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol

(1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol (PubChem CID 134202846) has the molecular formula C11H19NO3S and a molecular weight of 245.34 g/mol. Its IUPAC name is (1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name(1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol
PubChem CID134202846
Molecular FormulaC11H19NO3S
Molecular Weight245.34 g/mol
Exact Mass245.11
IUPAC Name(1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol
SMILESCOOc1csc([C@H](O)C[C@@H](C)C(C)C)n1
InChIInChI=1S/C11H19NO3S/c1-7(2)8(3)5-9(13)11-12-10(6-16-11)15-14-4/h6-9,13H,5H2,1-4H3/t8-,9-/m1/s1
InChIKeyDHDBQQYNAUCXJI-RKDXNWHRSA-N
XLogP2.80
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol?
The IUPAC name of (1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol (CID 134202846) is (1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol.
What is the SMILES notation for (1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol?
The canonical SMILES for (1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol is COOc1csc([C@H](O)C[C@@H](C)C(C)C)n1.
What is the InChIKey of (1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol?
The InChIKey is DHDBQQYNAUCXJI-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H19NO3S/c1-7(2)8(3)5-9(13)11-12-10(6-16-11)15-14-4/h6-9,13H,5H2,1-4H3/t8-,9-/m1/s1.
What are the key properties of (1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol?
(1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol has a molecular weight of 245.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-3,4-dimethyl-1-(4-methylperoxy-1,3-thiazol-2-yl)pentan-1-ol is sourced from PubChem (CID 134202846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).