2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole

C20H22N2S — CID 52917809

IUPAC2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole
SMILESC[C@@H]1CCCN1CCc1ccc2cc(-c3nccs3)ccc2c1
InChIInChI=1S/C20H22N2S/c1-15-3-2-10-22(15)11-8-16-4-5-18-14-19(7-6-17(18)13-16)20-21-9-12-23-20/h4-7,9,12-15H,2-3,8,10-11H2,1H3/t15-/m1/s1
InChIKeyOFBJQPWIGPCSCM-OAHLLOKOSA-N
MW322.48 g/mol
LogP4.99
Rot. Bonds4

About 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole

2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole (PubChem CID 52917809) has the molecular formula C20H22N2S and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole
PubChem CID52917809
Molecular FormulaC20H22N2S
Molecular Weight322.48 g/mol
Exact Mass322.15
IUPAC Name2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole
SMILESC[C@@H]1CCCN1CCc1ccc2cc(-c3nccs3)ccc2c1
InChIInChI=1S/C20H22N2S/c1-15-3-2-10-22(15)11-8-16-4-5-18-14-19(7-6-17(18)13-16)20-21-9-12-23-20/h4-7,9,12-15H,2-3,8,10-11H2,1H3/t15-/m1/s1
InChIKeyOFBJQPWIGPCSCM-OAHLLOKOSA-N
XLogP4.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methyl-1-[2-[6-(4-methylphenyl)naphthalen-2-yl]ethyl]pyrrolidine
CID 11602364
3-chloro-6-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]naphthalen-2-yl]pyridazine
CID 76529530
4-[6-[2-(2-methylpiperidin-1-yl)ethyl]naphthalen-2-yl]benzonitrile
CID 57418062
2-(6-chloro-3-pyridinyl)-6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinoline
CID 87964253
6-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-2-pyridin-3-ylquinazoline
CID 11723421
2-[6-(1,3-thiazol-2-yl)naphthalen-2-yl]ethyl methanesulfonate
CID 87270459
5-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-3-methylsulfanyl-1,2,4-thiadiazole;dihydrate
CID 143659213
7-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-phenylquinoxaline
CID 10403546
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-6-pyridin-4-ylquinoline
CID 10064429
4-methyl-5-[4-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinolin-2-yl]-1,3-thiazol-2-yl]thiadiazole
CID 11633172
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]pyridazin-3-one;sulfuric acid
CID 11539261
2-methyl-3-[6-[2-(2-methylpyrrolidin-1-yl)ethyl]quinolin-2-yl]-1,8-naphthyridine
CID 11574500

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole?
The IUPAC name of 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole (CID 52917809) is 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole is C[C@@H]1CCCN1CCc1ccc2cc(-c3nccs3)ccc2c1.
What is the InChIKey of 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole?
The InChIKey is OFBJQPWIGPCSCM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2S/c1-15-3-2-10-22(15)11-8-16-4-5-18-14-19(7-6-17(18)13-16)20-21-9-12-23-20/h4-7,9,12-15H,2-3,8,10-11H2,1H3/t15-/m1/s1.
What are the key properties of 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole?
2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole has a molecular weight of 322.48 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]naphthalen-2-yl]-1,3-thiazole is sourced from PubChem (CID 52917809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).