6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol

C14H15NO2S — CID 112642015

IUPAC6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(Cc1cncs1)CC2
InChIInChI=1S/C14H15NO2S/c1-17-11-3-2-10-4-5-14(16,13(10)6-11)7-12-8-15-9-18-12/h2-3,6,8-9,16H,4-5,7H2,1H3
InChIKeyLAUGTIFQWYBROU-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.53
Rot. Bonds3

About 6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol

6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol (PubChem CID 112642015) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol
PubChem CID112642015
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc2c(c1)C(O)(Cc1cncs1)CC2
InChIInChI=1S/C14H15NO2S/c1-17-11-3-2-10-4-5-14(16,13(10)6-11)7-12-8-15-9-18-12/h2-3,6,8-9,16H,4-5,7H2,1H3
InChIKeyLAUGTIFQWYBROU-UHFFFAOYSA-N
XLogP2.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol (CID 112642015) is 6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol is COc1ccc2c(c1)C(O)(Cc1cncs1)CC2.
What is the InChIKey of 6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol?
The InChIKey is LAUGTIFQWYBROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-17-11-3-2-10-4-5-14(16,13(10)6-11)7-12-8-15-9-18-12/h2-3,6,8-9,16H,4-5,7H2,1H3.
What are the key properties of 6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol?
6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol has a molecular weight of 261.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 112642015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).