2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine

C16H19NOS — CID 66231077

IUPAC2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine
SMILESCOc1ccc2cc(C3NC(C)(C)CS3)ccc2c1
InChIInChI=1S/C16H19NOS/c1-16(2)10-19-15(17-16)13-5-4-12-9-14(18-3)7-6-11(12)8-13/h4-9,15,17H,10H2,1-3H3
InChIKeyRQDSDWQTRQHXAX-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.96
Rot. Bonds2

About 2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine

2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine (PubChem CID 66231077) has the molecular formula C16H19NOS and a molecular weight of 273.40 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine
PubChem CID66231077
Molecular FormulaC16H19NOS
Molecular Weight273.40 g/mol
Exact Mass273.12
IUPAC Name2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine
SMILESCOc1ccc2cc(C3NC(C)(C)CS3)ccc2c1
InChIInChI=1S/C16H19NOS/c1-16(2)10-19-15(17-16)13-5-4-12-9-14(18-3)7-6-11(12)8-13/h4-9,15,17H,10H2,1-3H3
InChIKeyRQDSDWQTRQHXAX-UHFFFAOYSA-N
XLogP3.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethylphenyl)-4,4-dimethyl-1,3-thiazolidine
CID 66227818
4,4-dimethyl-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidine
CID 66229916
(2S)-2-(6-methoxynaphthalen-2-yl)azetidine;hydrochloride
CID 171196650
2-(6-methoxynaphthalen-2-yl)-3,5,5-trimethylmorpholine;hydrochloride
CID 141261152
2-cyclopentyl-6-methoxynaphthalene
CID 67100251
(2S)-2-(6-methoxynaphthalen-2-yl)pyrrolidine;hydrochloride
CID 171196228
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
4-imino-5-(6-methoxynaphthalen-2-yl)imidazolidin-2-one
CID 138388376
(4S)-4-(6-methoxynaphthalen-2-yl)-1,3-oxazinan-2-one
CID 171185502
2-(4-methoxyphenyl)-1,3-dithiolane
CID 23175
4-(6-methoxynaphthalen-2-yl)-1,3-dimethyl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135799706

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine (CID 66231077) is 2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine is COc1ccc2cc(C3NC(C)(C)CS3)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine?
The InChIKey is RQDSDWQTRQHXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NOS/c1-16(2)10-19-15(17-16)13-5-4-12-9-14(18-3)7-6-11(12)8-13/h4-9,15,17H,10H2,1-3H3.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine?
2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine has a molecular weight of 273.40 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-4,4-dimethyl-1,3-thiazolidine is sourced from PubChem (CID 66231077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).