2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one

C14H13NOS — CID 143382317

IUPAC2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one
SMILESO=C1CCSN1Cc1cccc2ccccc12
InChIInChI=1S/C14H13NOS/c16-14-8-9-17-15(14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2
InChIKeyYZMPVCUCKJVJAH-UHFFFAOYSA-N
MW243.33 g/mol
LogP3.22
Rot. Bonds2

About 2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one

2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one (PubChem CID 143382317) has the molecular formula C14H13NOS and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one
PubChem CID143382317
Molecular FormulaC14H13NOS
Molecular Weight243.33 g/mol
Exact Mass243.07
IUPAC Name2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one
SMILESO=C1CCSN1Cc1cccc2ccccc12
InChIInChI=1S/C14H13NOS/c16-14-8-9-17-15(14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2
InChIKeyYZMPVCUCKJVJAH-UHFFFAOYSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(naphthalen-1-ylmethyl)thiomorpholine
CID 791354
3-(naphthalen-1-ylmethyl)-1,3-thiazinan-2-one
CID 101352614
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
4-(naphthalen-1-ylmethyl)morpholine-2,6-dione
CID 63788360
1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 82156899
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964
1-(naphthalen-1-ylmethyl)quinoxalin-2-one
CID 9369622
azane;1-ethylnaphthalene
CID 19048185
(1R,2R,6R,7R)-4-(naphthalen-1-ylmethyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 126379961
2-bromo-1,3-bis(naphthalen-1-ylmethyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole 2-oxide
CID 123254446
2-[3-(naphthalen-1-ylmethyl)-2,4,5-trioxoimidazolidin-1-yl]acetic acid
CID 10828885
CID 66760372
CID 66760372

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one (CID 143382317) is 2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one is O=C1CCSN1Cc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one?
The InChIKey is YZMPVCUCKJVJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NOS/c16-14-8-9-17-15(14)10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7H,8-10H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one?
2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one has a molecular weight of 243.33 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-1,2-thiazolidin-3-one is sourced from PubChem (CID 143382317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).