2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one

C14H13NOS — CID 79428825

IUPAC2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1Cc1cscn1
InChIInChI=1S/C14H13NOS/c16-14-11(7-12-8-17-9-15-12)6-5-10-3-1-2-4-13(10)14/h1-4,8-9,11H,5-7H2
InChIKeySUCDPZCDPRGXIV-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.13
Rot. Bonds2

About 2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one

2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 79428825) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID79428825
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2ccccc2CCC1Cc1cscn1
InChIInChI=1S/C14H13NOS/c16-14-11(7-12-8-17-9-15-12)6-5-10-3-1-2-4-13(10)14/h1-4,8-9,11H,5-7H2
InChIKeySUCDPZCDPRGXIV-UHFFFAOYSA-N
XLogP3.13
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one (CID 79428825) is 2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one is O=C1c2ccccc2CCC1Cc1cscn1.
What is the InChIKey of 2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is SUCDPZCDPRGXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c16-14-11(7-12-8-17-9-15-12)6-5-10-3-1-2-4-13(10)14/h1-4,8-9,11H,5-7H2.
What are the key properties of 2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one?
2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 243.33 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 79428825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).